data_2kjh_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2kjh _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.667 0.27 . . . . 99.99 111.224 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.95 -23.45 65.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.39 -0.368 . . . . 99.99 111.234 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.8 mmm -53.19 -48.6 67.92 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.485 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -66.05 -40.16 90.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.32 . . . . 99.99 110.254 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.24 -43.86 86.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.922 -0.581 . . . . 99.99 110.017 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.5 t -63.79 -41.09 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 99.99 109.969 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -64.3 -48.52 75.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 99.99 110.757 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.21 -41.95 85.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.072 -0.513 . . . . 99.99 110.636 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.4 tp -67.09 -46.27 74.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.839 -0.619 . . . . 99.99 110.237 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.79 -37.39 76.22 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.351 -0.386 . . . . 99.99 111.412 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -72.67 -46.27 54.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.059 0.457 . . . . 99.99 110.817 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.84 -28.86 67.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.674 0.62 . . . . 99.99 112.674 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -77.58 -6.16 52.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.008 0.373 . . . . 99.99 112.008 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -102.35 -34.59 9.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 99.99 110.74 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -135.62 71.18 65.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 99.99 110.217 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.23 141.06 15.96 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.424 2.083 . . . . 10.0 112.401 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -62.92 154.33 67.34 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.945 2.43 . . . . 10.0 111.139 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.25 -11.39 25.13 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.838 2.359 . . . . 10.0 113.215 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -108.48 7.96 27.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.77 0.285 . . . . 99.99 111.77 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 tp -135.5 105.5 6.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.904 0.383 . . . . 99.99 110.652 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.67 164.32 20.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.291 -0.413 . . . . 99.99 111.395 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.7 37.79 18.81 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.968 -0.56 . . . . 99.99 111.529 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.409 ' C ' ' HG ' ' A' ' 25' ' ' SER . 48.2 tp -84.86 116.1 23.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.837 -0.62 . . . . 99.99 111.035 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.409 ' HG ' ' C ' ' A' ' 24' ' ' LEU . 41.3 m -153.69 166.38 33.0 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.851 -0.613 . . . . 99.99 109.475 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.41 162.39 25.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.622 0.249 . . . . 99.99 110.399 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.34 149.91 47.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.195 -0.457 . . . . 99.99 110.087 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -55.71 -29.44 59.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.641 0.608 . . . . 99.99 112.641 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.0 30.34 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.93 0.344 . . . . 99.99 111.93 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -162.04 120.68 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.053 0.454 . . . . 99.99 111.838 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.91 -14.13 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.32 0.581 . . . . 99.99 110.617 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.53 6.75 44.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.813 -0.631 . . . . 99.99 110.966 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.23 118.75 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.248 -0.433 . . . . 99.99 110.101 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -98.75 143.66 28.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.978 0.418 . . . . 99.99 111.392 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -121.96 125.96 47.52 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.423 -0.955 . . . . 99.99 108.423 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.15 158.93 41.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.911 0.386 . . . . 99.99 111.666 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.5 mt -110.63 117.81 34.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.536 -0.756 . . . . 99.99 109.509 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.5 tp -86.31 132.0 34.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.201 -0.454 . . . . 99.99 110.016 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.6 88.08 12.96 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 99.99 110.812 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -70.26 145.95 55.73 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.282 1.988 . . . . 10.0 110.456 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -96.41 -25.39 15.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.108 0.48 . . . . 99.99 110.549 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -61.89 138.22 95.52 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.441 -0.799 . . . . 99.99 111.274 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -76.67 142.29 22.83 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.621 2.214 . . . . 10.0 111.378 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -100.07 20.92 21.54 Favored 'Cis proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.951 -1.27 . . . . 10.0 111.758 -0.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -66.13 -13.6 60.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.969 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -78.16 -3.72 43.93 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.413 0.523 . . . . 99.99 112.413 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.23 -25.08 34.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.903 0.382 . . . . 99.99 111.426 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -136.38 -170.66 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.283 -0.417 . . . . 99.99 110.677 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.98 156.55 43.61 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.35 -0.611 . . . . 99.99 109.35 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -123.88 126.49 46.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.774 0.321 . . . . 99.99 110.66 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -83.66 134.48 34.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.304 -0.407 . . . . 99.99 110.501 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.01 146.59 47.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.216 -0.447 . . . . 99.99 110.683 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -116.77 114.8 24.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.814 -0.63 . . . . 99.99 110.039 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.3 mt -96.36 118.4 42.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.656 -0.498 . . . . 99.99 109.656 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.37 112.22 25.18 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.293 -0.412 . . . . 99.99 111.037 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -87.64 128.47 54.45 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.277 -0.42 . . . . 99.99 110.655 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -75.37 152.36 39.0 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.69 2.26 . . . . 10.0 110.851 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.23 -15.33 48.92 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.507 2.138 . . . . 10.0 112.561 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -99.95 24.12 8.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.628 -0.26 . . . . 99.99 111.574 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -63.49 142.92 97.94 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.462 -0.57 . . . . 99.99 109.462 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -97.34 20.27 28.39 Favored 'Cis proline' 0 N--CA 1.459 -0.534 0 C-N-CA 124.151 -1.187 . . . . 10.0 112.808 0.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -70.27 -29.27 65.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.291 0.567 . . . . 99.99 109.573 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 133.46 20.3 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.362 -0.835 . . . . 99.99 109.641 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.93 139.85 48.55 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.825 2.35 . . . . 10.0 113.113 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -71.7 124.82 10.55 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.756 2.304 . . . . 10.0 111.422 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 36.0 mtm -81.77 112.75 19.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.025 -0.534 . . . . 99.99 110.545 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.8 mt -104.12 131.66 52.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.306 -0.406 . . . . 99.99 110.727 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -135.81 160.85 37.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.463 -0.569 . . . . 99.99 109.463 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.27 134.22 34.76 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.711 -0.395 . . . . 99.99 110.672 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -81.26 -39.89 24.59 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.23 -0.656 . . . . 99.99 109.23 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.06 -164.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.67 -0.695 . . . . 99.99 109.893 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -121.16 118.84 30.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.777 0.322 . . . . 99.99 110.744 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.6 tt -116.71 122.33 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.121 -0.491 . . . . 99.99 111.442 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -80.22 74.69 7.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.906 -0.588 . . . . 99.99 110.117 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -126.08 137.55 30.39 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 99.99 110.063 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.78 -6.07 8.51 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.01 2.473 . . . . 10.0 113.775 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -110.52 10.99 23.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.046 0.451 . . . . 99.99 111.087 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -130.68 145.11 36.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.411 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -86.09 172.53 10.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.574 0.226 . . . . 99.99 111.316 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.35 -25.12 67.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.594 0.591 . . . . 99.99 112.594 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.411 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 4.2 m120 -84.49 -48.74 9.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.149 0.5 . . . . 99.99 110.298 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.79 20.55 0.32 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.752 -0.658 . . . . 99.99 112.238 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.74 154.65 20.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.794 0.33 . . . . 99.99 110.519 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.4 pt -137.37 164.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.145 -0.48 . . . . 99.99 110.766 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.03 87.42 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.801 -0.636 . . . . 99.99 110.104 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.7 mp -104.0 111.11 65.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.868 -0.606 . . . . 99.99 110.558 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.84 -30.93 78.96 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.091 2.527 . . . . 10.0 112.593 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.62 -27.67 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.154 0.427 . . . . 99.99 112.154 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 pt -127.94 39.29 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.073 0.463 . . . . 99.99 110.645 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.5 p -102.13 170.67 7.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.0 -0.546 . . . . 99.99 110.559 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -83.76 0.58 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.703 0.764 . . . . 99.99 109.612 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -101.92 -17.68 16.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.038 -0.983 . . . . 99.99 109.525 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -160.83 122.69 3.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.823 -0.626 . . . . 99.99 110.506 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -166.3 140.8 4.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.595 -0.275 . . . . 99.99 110.601 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.78 121.4 19.99 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.563 -0.532 . . . . 99.99 109.563 179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.99 -20.19 66.36 Favored 'Trans proline' 0 N--CA 1.475 0.436 0 C-N-CA 122.991 2.461 . . . . 10.0 112.525 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.65 -17.28 60.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.026 -0.534 . . . . 99.99 111.165 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.6 m -78.89 133.37 36.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.856 -0.611 . . . . 99.99 110.397 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -95.85 161.98 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 99.99 110.562 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -60.3 -29.05 68.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.238 0.458 . . . . 99.99 112.238 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -37.22 80.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.943 0.401 . . . . 99.99 110.843 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -71.08 -37.43 72.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 99.99 110.143 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.2 t -65.61 -41.25 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 99.99 110.146 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.72 -38.12 84.01 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.953 -0.567 . . . . 99.99 110.699 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.5 -48.84 73.65 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.87 -0.604 . . . . 99.99 109.854 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.54 -42.23 87.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.964 -0.562 . . . . 99.99 110.507 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.25 -49.32 77.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 99.99 110.221 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.99 -41.93 84.08 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.102 -0.499 . . . . 99.99 111.139 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.9 t -62.73 -44.39 99.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 99.99 110.895 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.2 mt -69.95 -29.22 66.29 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.169 0.433 . . . . 99.99 112.169 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.04 -39.08 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.099 0.476 . . . . 99.99 109.884 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -77.15 -50.19 13.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.731 -0.668 . . . . 99.99 110.546 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -103.14 106.38 50.75 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.175 -0.466 . . . . 99.99 110.459 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.66 147.25 63.09 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.849 2.366 . . . . 10.0 112.383 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -105.46 106.34 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 99.99 109.793 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.3 pt -83.23 -2.91 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.076 -0.511 . . . . 99.99 111.761 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.8 mtp-105 -84.75 -54.73 4.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.384 -0.599 . . . . 99.99 109.384 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -126.62 81.29 68.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.68 . . . . 99.99 109.819 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -96.47 175.75 0.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.954 2.436 . . . . 10.0 112.051 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.5 mp -105.59 -9.67 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.385 0.612 . . . . 99.99 109.469 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -135.82 96.65 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.335 -0.848 . . . . 99.99 110.227 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -60.87 -32.1 71.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.961 -0.563 . . . . 99.99 111.048 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -66.01 -47.24 75.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.828 -0.623 . . . . 99.99 111.298 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.8 mp -71.16 -37.73 72.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.077 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.85 90.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 99.99 110.198 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.38 -44.52 96.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.807 -0.633 . . . . 99.99 110.312 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.99 -44.24 97.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.844 -0.616 . . . . 99.99 111.225 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.72 -36.15 82.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 99.99 111.445 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.4 m -87.29 14.04 8.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.279 0.562 . . . . 99.99 111.492 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -129.1 -49.2 1.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 99.99 111.179 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -144.7 95.23 5.36 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.978 0.418 . . . . 99.99 110.431 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -63.18 -32.11 74.37 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.967 2.445 . . . . 10.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -67.84 -48.09 67.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.59 -0.277 . . . . 99.99 110.794 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.0 tp -61.92 -41.97 98.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 99.99 110.192 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -63.92 -41.37 97.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.758 -0.656 . . . . 99.99 109.859 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -60.48 -42.89 97.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.431 -0.804 . . . . 99.99 110.831 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -58.36 -51.1 71.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.104 0.478 . . . . 99.99 110.958 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -43.04 99.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.677 -0.692 . . . . 99.99 111.253 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.01 82.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 99.99 111.425 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -61.83 -54.29 44.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 99.99 111.849 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.35 -39.85 80.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 99.99 110.559 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -65.94 -43.98 86.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.916 -0.584 . . . . 99.99 111.27 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 44.0 m -62.04 -39.71 93.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.044 0.449 . . . . 99.99 110.993 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 35.8 mt -87.2 12.09 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 99.99 110.866 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -120.37 -52.72 2.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.251 -0.432 . . . . 99.99 111.206 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -115.46 36.63 3.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.466 -0.334 . . . . 99.99 111.327 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -126.09 158.24 20.24 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.677 -0.773 . . . . 99.99 112.339 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 22.9 t -81.72 148.32 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.84 -0.8 . . . . 99.99 108.84 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -63.45 145.82 54.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.754 0.312 . . . . 99.99 111.252 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 99.99 110.935 -179.177 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.964 0.411 . . . . 99.99 110.811 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -89.69 120.38 30.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.978 -0.556 . . . . 99.99 111.471 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -113.38 172.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.424 -0.584 . . . . 99.99 109.424 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -120.56 120.3 35.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.703 0.287 . . . . 99.99 110.883 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.6 t -106.35 110.47 31.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.288 -0.634 . . . . 99.99 109.288 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -105.65 126.27 51.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.002 0.43 . . . . 99.99 111.45 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 21.2 p -87.2 170.34 11.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.998 -0.546 . . . . 99.99 109.611 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 38.9 mt -69.18 -9.16 51.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.013 0.435 . . . . 99.99 110.865 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.89 3.18 55.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.093 -0.503 . . . . 99.99 110.678 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.9 -23.39 17.51 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.921 -0.657 . . . . 99.99 112.348 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -60.27 114.27 2.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.933 0.397 . . . . 99.99 110.375 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -111.41 125.67 54.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 99.99 110.151 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 30.3 pt -114.6 155.77 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.007 0.432 . . . . 99.99 111.269 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.78 131.77 40.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.783 -0.644 . . . . 99.99 109.373 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 tp -128.48 133.68 48.54 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.822 -0.351 . . . . 99.99 111.241 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.81 109.92 22.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.501 . . . . 99.99 110.252 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -137.82 153.6 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.581 -0.736 . . . . 99.99 109.952 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -99.96 161.92 22.71 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.29 -0.633 . . . . 99.99 109.29 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.21 -30.34 70.98 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.144 1.896 . . . . 10.0 112.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.65 5.19 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.569 . . . . 99.99 112.354 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.96 129.35 37.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.605 0.24 . . . . 99.99 110.647 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.31 147.88 32.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 99.99 110.054 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 39.6 mm -58.19 -40.37 77.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.593 -0.276 . . . . 99.99 111.544 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -40.79 86.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.382 0.611 . . . . 99.99 109.979 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -34.56 76.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.548 -0.751 . . . . 99.99 109.861 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.66 -42.55 96.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 109.132 -0.692 . . . . 99.99 109.132 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.26 -41.19 88.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.697 -0.683 . . . . 99.99 110.22 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.22 96.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.586 -0.734 . . . . 99.99 110.166 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -64.73 -36.01 82.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 99.99 110.782 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.23 -44.58 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 99.99 109.911 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -66.56 -31.17 71.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.016 0.436 . . . . 99.99 110.392 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.53 -37.73 79.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.732 -0.667 . . . . 99.99 111.903 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -99.87 -42.63 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.664 0.616 . . . . 99.99 112.664 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -85.86 -60.34 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.61 0.243 . . . . 99.99 111.359 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.64 -4.71 11.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.602 -0.809 . . . . 99.99 112.633 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.15 122.46 82.87 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.469 0.176 . . . . 99.99 110.825 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -57.8 135.89 71.98 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.119 2.546 . . . . 10.0 112.137 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.8 -27.61 78.82 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.35 2.7 . . . . 10.0 112.641 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.81 -27.6 68.38 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.13 0.491 . . . . 99.99 110.755 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -102.69 7.16 39.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.748 -0.66 . . . . 99.99 110.636 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -95.61 104.07 15.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.049 0.389 . . . . 99.99 112.049 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -109.74 96.28 6.15 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.427 -0.583 . . . . 99.99 109.427 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 38.8 mt -82.89 119.02 23.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 99.99 111.809 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.9 mm -110.84 127.76 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 99.99 109.811 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -130.36 117.0 19.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.178 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.63 28.35 15.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.92 -0.582 . . . . 99.99 111.962 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.06 -11.0 73.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.831 -0.699 . . . . 99.99 113.259 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -100.09 145.45 27.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.785 0.293 . . . . 99.99 110.256 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -87.98 131.09 34.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.76 -0.459 . . . . 99.99 109.76 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 59.8 mt -77.22 113.44 14.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.237 -0.438 . . . . 99.99 111.247 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -73.63 135.69 43.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.131 -0.486 . . . . 99.99 109.751 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.06 -40.52 45.44 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.222 0.823 . . . . 99.99 113.222 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.97 5.19 80.53 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.829 -0.7 . . . . 99.99 114.508 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -98.04 163.22 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.369 0.584 . . . . 99.99 110.14 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.0 p -114.35 179.96 3.8 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.499 -0.556 . . . . 99.99 109.499 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.4 -18.99 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.928 0.394 . . . . 99.99 110.971 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.6 m -75.45 -29.89 59.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.294 -0.412 . . . . 99.99 110.313 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -58.43 -54.07 51.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.636 -0.711 . . . . 99.99 111.992 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -87.21 4.83 40.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 99.99 111.986 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 58.88 60.24 2.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.552 0.691 . . . . 99.99 110.281 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.8 mt -94.91 121.6 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.452 -0.795 . . . . 99.99 110.46 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -96.07 -174.44 3.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.008 -0.542 . . . . 99.99 109.821 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -76.48 155.92 33.44 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.842 -0.343 . . . . 99.99 111.014 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.13 9.05 6.95 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.649 0.611 . . . . 99.99 112.649 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -66.06 129.52 40.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.868 0.366 . . . . 99.99 110.398 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.6 m -94.09 111.79 23.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 99.99 110.86 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 29.6 mt -95.71 149.31 21.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.764 -0.653 . . . . 99.99 109.669 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -104.91 117.2 33.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.861 -0.422 . . . . 99.99 109.861 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.4 tp -97.64 111.04 23.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.158 0.504 . . . . 99.99 112.02 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.4 t -98.72 129.23 49.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.608 -0.886 . . . . 99.99 108.608 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -90.03 127.98 36.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.348 0.594 . . . . 99.99 112.024 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.617 -0.72 . . . . 99.99 109.802 179.076 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.411 0.148 . . . . 99.99 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -66.52 -20.9 66.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.217 0.821 . . . . 99.99 113.217 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -52.15 -55.92 17.87 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.621 0.601 . . . . 99.99 112.621 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -64.02 -35.58 81.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.734 0.302 . . . . 99.99 111.003 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.5 t -59.59 -45.87 93.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.005 -0.543 . . . . 99.99 111.041 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.64 -38.14 81.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.215 0.531 . . . . 99.99 110.107 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -69.29 -41.09 77.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.909 -0.587 . . . . 99.99 111.316 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.05 -38.75 82.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 99.99 111.118 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.77 -52.04 66.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.851 -0.426 . . . . 99.99 109.851 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -60.78 -37.47 81.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.551 . . . . 99.99 110.482 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -52.08 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.615 -0.721 . . . . 99.99 110.09 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.7 mt -72.59 -23.92 61.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.438 -0.801 . . . . 99.99 112.892 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -74.19 -17.59 60.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 99.99 111.234 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -92.76 -38.79 11.6 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.423 -0.584 . . . . 99.99 109.423 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -122.89 74.98 47.89 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.704 -0.68 . . . . 99.99 110.238 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.57 137.0 7.71 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.793 2.328 . . . . 10.0 111.879 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -68.03 145.78 68.68 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.39 2.06 . . . . 10.0 110.586 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.34 -21.07 35.04 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 123.028 2.485 . . . . 10.0 114.07 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -97.09 7.19 47.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.857 0.688 . . . . 99.99 112.857 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.9 tp -132.48 117.05 17.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.798 0.333 . . . . 99.99 110.792 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -124.0 166.0 16.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.332 -0.395 . . . . 99.99 110.41 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 58.43 29.8 18.76 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.643 0.608 . . . . 99.99 112.643 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.1 tp -68.87 101.22 1.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.31 0.576 . . . . 99.99 111.044 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.47 173.9 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.767 -0.651 . . . . 99.99 110.375 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -169.62 2.69 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.469 -0.567 . . . . 99.99 109.469 178.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -85.51 161.8 19.2 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.25 -0.648 . . . . 99.99 109.25 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.97 -37.72 80.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.817 0.341 . . . . 99.99 111.131 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.48 39.33 2.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.218 -0.447 . . . . 99.99 111.235 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -162.73 139.6 7.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 99.99 110.978 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.5 p -98.85 -10.78 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.152 0.501 . . . . 99.99 110.52 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -94.37 15.04 18.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 99.99 111.163 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.52 123.62 42.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.156 -0.683 . . . . 99.99 109.156 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -105.7 140.88 38.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.023 0.439 . . . . 99.99 111.261 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -118.46 123.36 44.99 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.003 -1.11 . . . . 99.99 108.003 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.26 161.53 42.48 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.515 -0.474 . . . . 99.99 112.233 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.6 mt -113.81 123.03 48.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.444 -0.798 . . . . 99.99 109.799 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.8 tp -91.7 131.42 37.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.275 -0.42 . . . . 99.99 109.907 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 mp -117.32 88.61 28.57 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.876 -0.602 . . . . 99.99 110.574 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.93 158.05 53.51 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.668 2.245 . . . . 10.0 111.582 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -99.41 -33.55 10.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 99.99 110.82 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -56.98 121.1 43.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 99.99 111.417 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -67.97 147.4 74.03 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.623 2.216 . . . . 10.0 110.774 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -95.96 18.83 33.31 Favored 'Cis proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.972 -1.262 . . . . 10.0 112.222 -0.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -62.69 -24.22 67.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.981 0.419 . . . . 99.99 111.415 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.32 -0.26 19.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.906 0.706 . . . . 99.99 112.906 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -75.77 -29.61 58.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.76 0.314 . . . . 99.99 110.666 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -140.99 -163.41 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 99.99 110.271 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.75 161.29 31.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.674 0.273 . . . . 99.99 110.373 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -126.51 134.13 50.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.512 -0.313 . . . . 99.99 110.192 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -91.1 136.13 33.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.782 0.325 . . . . 99.99 110.795 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.08 154.96 35.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.203 -0.453 . . . . 99.99 110.597 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -124.35 110.4 14.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.979 -0.555 . . . . 99.99 109.736 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.4 mt -93.97 117.72 38.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.023 -0.535 . . . . 99.99 110.489 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.52 114.56 28.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.397 -0.365 . . . . 99.99 110.439 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -89.2 130.82 42.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.439 . . . . 99.99 111.215 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.35 154.86 36.57 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.462 2.108 . . . . 10.0 111.229 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.4 -19.66 55.25 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.323 2.015 . . . . 10.0 111.855 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -97.19 16.9 18.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.655 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -62.01 140.19 95.83 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.784 -0.45 . . . . 99.99 109.784 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -98.73 25.64 18.95 Favored 'Cis proline' 0 C--N 1.35 0.623 0 C-N-CA 124.232 -1.153 . . . . 10.0 113.358 0.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -75.22 -25.5 58.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.484 0.659 . . . . 99.99 109.283 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.42 137.09 21.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.013 -0.994 . . . . 99.99 108.757 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.76 137.64 50.41 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.724 2.282 . . . . 10.0 112.676 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.77 151.49 46.17 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.519 2.146 . . . . 10.0 111.181 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 30.2 mtm -102.34 112.53 25.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 99.99 110.739 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.2 mt -113.3 122.88 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.013 0.435 . . . . 99.99 110.489 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -137.34 163.26 31.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.002 -0.544 . . . . 99.99 109.716 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -89.11 134.8 33.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.98 -0.378 . . . . 99.99 109.98 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.5 -33.8 31.68 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.487 -0.56 . . . . 99.99 109.487 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.33 178.85 5.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.455 -0.793 . . . . 99.99 110.107 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -97.66 128.49 44.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.788 0.327 . . . . 99.99 110.681 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.6 tt -128.19 129.68 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.234 0.54 . . . . 99.99 111.552 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -84.68 81.51 8.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.793 -0.639 . . . . 99.99 109.399 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -132.86 134.87 25.06 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.355 -0.384 . . . . 99.99 110.657 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.59 -4.5 11.04 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.939 2.426 . . . . 10.0 113.762 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -116.44 17.85 15.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.058 0.456 . . . . 99.99 110.528 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.4 t -139.01 142.92 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 108.72 -0.844 . . . . 99.99 108.72 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.04 172.32 10.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.61 0.243 . . . . 99.99 111.187 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.28 -29.22 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.579 0.585 . . . . 99.99 112.579 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -76.44 -33.87 58.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.201 0.524 . . . . 99.99 110.03 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.35 19.79 3.78 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.582 -0.736 . . . . 99.99 111.839 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -82.23 137.18 34.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.833 0.349 . . . . 99.99 110.517 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -127.29 140.59 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.951 -0.568 . . . . 99.99 109.587 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.8 m -104.04 108.66 20.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.417 . . . . 99.99 109.988 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.77 120.53 34.08 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.981 -0.554 . . . . 99.99 110.806 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.21 -31.72 94.12 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.987 2.458 . . . . 10.0 111.954 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.0 tp -62.78 -33.99 63.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.276 -0.42 . . . . 99.99 111.672 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.3 pt -113.27 29.58 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.251 0.548 . . . . 99.99 110.76 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.9 p -86.56 155.88 20.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.758 -0.656 . . . . 99.99 109.846 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.91 -7.39 45.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.087 0.47 . . . . 99.99 110.775 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -101.24 -28.71 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.347 0.499 . . . . 99.99 112.347 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -128.84 25.53 5.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.978 1.103 . . . . 99.99 113.978 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -75.29 123.98 26.29 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.405 -0.518 . . . . 99.99 111.503 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -113.77 117.27 44.61 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 108.621 -0.881 . . . . 99.99 108.621 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -58.92 -21.85 59.91 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 123.117 2.544 . . . . 10.0 113.292 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -9.01 58.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.323 -0.399 . . . . 99.99 111.798 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -84.2 134.13 34.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.259 -0.428 . . . . 99.99 110.438 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -92.63 160.17 15.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 99.99 109.782 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -60.35 -30.85 69.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.216 0.45 . . . . 99.99 112.216 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -37.41 81.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.36 . . . . 99.99 110.95 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.17 -36.05 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 99.99 110.17 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.76 -42.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 99.99 109.437 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.87 -35.28 80.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.646 -0.707 . . . . 99.99 110.175 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -63.9 -46.89 82.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 99.99 109.091 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.08 96.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.58 -0.736 . . . . 99.99 110.614 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.6 -47.38 84.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.056 -0.52 . . . . 99.99 110.516 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.93 -41.29 82.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 99.99 110.418 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.04 -45.12 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 99.99 110.805 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.0 -31.73 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.835 0.309 . . . . 99.99 111.835 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.65 -44.5 52.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.037 0.446 . . . . 99.99 110.976 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -75.93 -33.55 59.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.322 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -113.1 92.19 20.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.225 -0.443 . . . . 99.99 110.003 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.88 106.09 1.25 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.433 2.089 . . . . 10.0 111.485 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -65.76 111.12 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.117 -0.492 . . . . 99.99 110.235 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.0 pt -84.19 -14.47 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.992 -0.549 . . . . 99.99 111.849 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.3 mtp-105 -76.57 -48.42 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.962 0.41 . . . . 99.99 110.84 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -127.74 79.73 73.11 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 99.99 110.036 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -95.08 175.82 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.828 2.352 . . . . 10.0 111.393 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.36 -20.98 13.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.449 0.642 . . . . 99.99 109.485 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -132.15 97.68 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.238 -0.892 . . . . 99.99 110.025 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -64.82 -25.23 67.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.999 -0.546 . . . . 99.99 111.103 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -68.51 -37.64 80.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 99.99 111.098 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.3 mp -81.76 -35.51 29.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 99.99 110.584 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.3 86.12 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.046 -0.524 . . . . 99.99 109.846 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -60.16 -44.49 94.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.567 -0.742 . . . . 99.99 109.305 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.6 -47.13 86.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.324 -0.853 . . . . 99.99 111.133 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.8 -32.43 73.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.999 0.428 . . . . 99.99 111.729 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.7 m -78.01 -33.83 51.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.183 -0.462 . . . . 99.99 110.981 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -80.95 -54.86 5.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.417 . . . . 99.99 111.497 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -139.83 101.92 7.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.459 -0.337 . . . . 99.99 110.991 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -62.93 -36.93 57.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.821 2.347 . . . . 10.0 112.348 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -64.75 -42.99 94.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.835 0.35 . . . . 99.99 110.883 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.41 -42.22 91.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.166 -0.47 . . . . 99.99 109.865 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -68.24 -40.58 81.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.819 -0.628 . . . . 99.99 109.603 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -57.3 -43.03 82.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.323 -0.853 . . . . 99.99 111.195 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -63.82 -50.76 67.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.998 0.428 . . . . 99.99 111.204 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.02 -44.69 97.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.59 . . . . 99.99 111.323 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.8 88.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 99.99 111.341 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -58.53 -54.46 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 99.99 111.057 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -58.72 -43.71 90.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 99.99 110.826 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.61 -43.36 97.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.392 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.2 m -67.03 -37.58 84.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 99.99 111.248 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 91.0 mt -88.58 15.13 8.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.56 -0.291 . . . . 99.99 111.69 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -132.7 -45.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.818 0.303 . . . . 99.99 111.818 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -112.28 18.92 18.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.856 0.36 . . . . 99.99 111.169 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -108.54 163.65 12.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.582 -0.818 . . . . 99.99 112.694 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 35.9 t -91.44 150.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.845 -0.798 . . . . 99.99 108.845 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -64.21 144.91 56.78 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.694 -0.402 . . . . 99.99 111.3 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.977 -178.843 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.831 0.348 . . . . 99.99 110.688 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -88.42 126.69 35.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.908 -0.587 . . . . 99.99 111.545 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.4 pt -126.25 164.72 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.584 -0.525 . . . . 99.99 109.584 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -121.22 125.13 46.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.747 0.308 . . . . 99.99 110.84 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -106.98 107.18 22.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.034 -0.728 . . . . 99.99 109.034 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -100.23 128.24 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.375 -0.375 . . . . 99.99 111.414 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.0 p -89.11 -179.93 6.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.046 -0.525 . . . . 99.99 110.176 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 86.9 mt -82.82 -1.98 53.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.051 0.453 . . . . 99.99 110.753 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.81 11.21 32.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.003 0.43 . . . . 99.99 111.402 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.71 -26.8 7.0 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.939 -0.648 . . . . 99.99 113.805 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -64.15 112.12 2.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.862 0.363 . . . . 99.99 111.165 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.2 m -107.8 127.56 53.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.021 -0.536 . . . . 99.99 109.623 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.4 pt -113.8 139.67 38.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.87 0.367 . . . . 99.99 111.315 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.8 m -85.31 137.8 32.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.938 -0.574 . . . . 99.99 109.758 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 tp -137.37 150.48 47.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.63 -0.259 . . . . 99.99 110.372 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -112.63 119.76 39.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.334 0.588 . . . . 99.99 111.2 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.82 152.83 15.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.479 -0.782 . . . . 99.99 109.478 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -101.13 158.89 30.94 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 108.095 -1.076 . . . . 99.99 108.095 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.26 -23.29 36.51 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.394 2.062 . . . . 10.0 112.797 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -80.22 -14.62 58.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.486 . . . . 99.99 111.867 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.33 137.55 56.13 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.921 0.391 . . . . 99.99 110.53 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.0 p -87.99 157.68 18.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.03 -0.532 . . . . 99.99 109.646 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.3 mm -59.71 -36.03 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.617 -0.512 . . . . 99.99 109.617 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.95 -40.19 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 99.99 110.109 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -71.08 -36.58 72.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.209 -0.45 . . . . 99.99 110.234 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 87.4 t -61.21 -43.32 96.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.838 -0.619 . . . . 99.99 109.628 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.29 -42.38 86.5 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.844 -0.616 . . . . 99.99 110.721 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.07 -40.41 96.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 99.99 110.32 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.56 -29.83 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 99.99 110.901 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.9 mt -73.53 -43.4 55.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 N-CA-C 109.335 -0.617 . . . . 99.99 109.335 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.78 -25.86 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.586 -0.733 . . . . 99.99 109.969 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.73 -37.87 80.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.524 -0.762 . . . . 99.99 111.459 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -101.25 -40.67 7.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.704 1.001 . . . . 99.99 113.704 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -88.6 -52.91 4.9 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.318 0.488 . . . . 99.99 112.318 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.24 -14.13 18.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.532 -0.842 . . . . 99.99 112.223 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.36 119.69 48.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 110.443 -0.206 . . . . 99.99 110.443 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.59 141.56 95.57 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.723 2.282 . . . . 10.0 112.201 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -56.08 -28.32 69.23 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.32 2.68 . . . . 10.0 112.161 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -64.35 -24.07 67.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.389 0.614 . . . . 99.99 110.603 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -107.44 15.74 24.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.732 -0.667 . . . . 99.99 110.576 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -108.47 113.28 26.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.092 -0.504 . . . . 99.99 111.539 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -112.73 95.72 5.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.04 -0.726 . . . . 99.99 109.04 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 62.3 mt -86.95 124.3 33.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.09 -0.505 . . . . 99.99 112.119 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.5 mm -119.12 126.85 75.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-N 115.747 -0.66 . . . . 99.99 110.237 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -121.1 105.14 10.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.661 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.05 35.81 25.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.832 -0.622 . . . . 99.99 111.909 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.44 -15.99 60.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.033 -0.604 . . . . 99.99 112.768 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -89.32 126.82 35.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.464 -0.199 . . . . 99.99 110.464 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -76.68 124.59 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.044 -0.724 . . . . 99.99 109.044 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.87 115.98 17.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.964 0.411 . . . . 99.99 111.774 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -80.26 133.77 36.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.902 -0.59 . . . . 99.99 109.84 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.87 -41.97 62.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.165 0.802 . . . . 99.99 113.165 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.65 -4.17 84.56 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 121.041 -0.599 . . . . 99.99 114.584 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -94.72 157.87 15.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.48 0.64 . . . . 99.99 111.288 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.5 p -103.02 171.77 7.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.816 -0.438 . . . . 99.99 109.816 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.61 -23.31 65.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.901 0.381 . . . . 99.99 110.356 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -75.32 -22.31 57.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 99.99 110.868 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.68 -40.3 95.17 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.156 -0.475 . . . . 99.99 111.617 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -99.94 6.36 45.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.286 -0.415 . . . . 99.99 110.988 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 56.02 63.52 2.0 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.333 0.587 . . . . 99.99 110.739 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -97.66 128.5 48.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.635 -0.712 . . . . 99.99 110.727 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -101.89 -171.87 2.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.5 . . . . 99.99 110.052 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -78.93 160.46 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.456 0.17 . . . . 99.99 110.805 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 71.6 6.01 5.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.641 0.608 . . . . 99.99 112.641 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.9 m -72.42 141.93 48.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.92 0.391 . . . . 99.99 110.775 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.4 m -107.92 118.13 35.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.998 -0.546 . . . . 99.99 110.647 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 61.3 mt -96.35 135.74 37.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.967 -0.56 . . . . 99.99 109.566 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -89.86 115.45 27.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.892 -0.41 . . . . 99.99 109.892 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.1 tp -96.98 107.98 20.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.122 0.487 . . . . 99.99 111.86 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 41.8 t -95.1 132.41 39.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.978 -0.749 . . . . 99.99 108.978 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.1 tp -79.78 112.92 17.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.886 0.375 . . . . 99.99 111.753 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 . . . . . 0 C--N 1.322 -0.602 0 N-CA-C 109.381 -0.6 . . . . 99.99 109.381 179.35 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.656 0.265 . . . . 99.99 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -31.42 67.36 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.107 0.41 . . . . 99.99 112.107 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 46.1 ttm -53.14 -47.23 68.89 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.44 -0.346 . . . . 99.99 111.832 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -74.49 -39.47 62.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.611 -0.268 . . . . 99.99 110.579 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.8 t -55.81 -47.13 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 99.99 111.185 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.15 -41.98 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 99.99 110.543 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -43.28 85.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.375 -0.375 . . . . 99.99 111.106 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -63.95 -36.13 82.95 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.386 -0.37 . . . . 99.99 110.605 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.44 -47.37 86.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.901 -0.59 . . . . 99.99 109.936 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -60.48 -39.7 88.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 99.99 110.768 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -56.53 -52.08 66.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.2 0.524 . . . . 99.99 110.814 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -76.81 -21.84 54.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.518 -0.765 . . . . 99.99 112.734 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -78.76 -36.04 43.63 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.643 -0.423 . . . . 99.99 110.949 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -78.24 -36.88 46.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.44 0.638 . . . . 99.99 110.074 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -127.07 81.24 70.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.367 -0.833 . . . . 99.99 110.005 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.07 126.6 3.3 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.13 2.553 . . . . 10.0 112.127 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.61 146.49 96.81 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.402 2.068 . . . . 10.0 110.462 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.2 -25.22 45.32 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.753 2.302 . . . . 10.0 113.236 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -94.13 4.78 53.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.199 0.444 . . . . 99.99 112.199 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.4 tp -124.72 102.01 7.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.545 -0.539 . . . . 99.99 109.545 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -108.33 136.85 47.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.266 0.469 . . . . 99.99 112.266 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.3 t30 56.88 74.69 0.4 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.939 -1.028 . . . . 99.99 113.239 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 tp -95.74 97.08 9.42 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.997 -0.742 . . . . 99.99 108.997 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -122.72 143.39 49.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.233 -0.44 . . . . 99.99 111.056 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.13 162.27 28.65 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.135 -0.691 . . . . 99.99 109.135 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.72 149.69 48.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.909 0.385 . . . . 99.99 110.955 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.05 -39.2 71.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.561 -0.745 . . . . 99.99 112.466 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.81 -38.63 6.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.175 0.806 . . . . 99.99 113.175 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -109.03 130.05 55.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.341 0.497 . . . . 99.99 112.341 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -82.5 -14.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.029 -0.532 . . . . 99.99 110.747 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.61 -3.62 57.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.11 -0.496 . . . . 99.99 111.441 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.0 t -114.28 119.67 61.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.756 -0.461 . . . . 99.99 109.756 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -106.57 140.94 38.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.822 0.344 . . . . 99.99 111.198 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -122.22 121.62 37.25 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.589 -0.893 . . . . 99.99 108.589 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.24 164.81 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.759 0.314 . . . . 99.99 111.524 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.6 mt -111.11 121.71 46.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.955 -0.566 . . . . 99.99 110.517 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.0 tp -87.81 134.88 33.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.601 -0.518 . . . . 99.99 109.601 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mp -118.65 86.86 30.51 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.255 -0.43 . . . . 99.99 111.627 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.31 151.05 59.81 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.456 2.104 . . . . 10.0 110.353 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.01 -1.92 25.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.851 0.358 . . . . 99.99 111.647 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -86.78 131.71 44.45 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.11 -0.495 . . . . 99.99 110.522 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -67.68 143.74 63.19 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.603 2.202 . . . . 10.0 110.831 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -97.73 10.96 34.67 Favored 'Cis proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.757 -1.351 . . . . 10.0 112.393 0.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -62.2 -24.16 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 99.99 111.457 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -4.25 13.1 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.136 0.791 . . . . 99.99 113.136 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -86.34 -19.98 29.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.145 0.424 . . . . 99.99 112.145 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -139.34 -171.4 3.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.73 0.3 . . . . 99.99 110.796 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.6 155.82 41.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.131 -0.486 . . . . 99.99 109.778 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -125.91 127.98 46.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.781 0.324 . . . . 99.99 111.243 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -81.43 131.32 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.311 -0.404 . . . . 99.99 110.471 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -114.39 150.04 35.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.898 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -118.06 107.91 14.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.985 -0.552 . . . . 99.99 110.108 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -92.94 119.39 40.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.684 -0.488 . . . . 99.99 109.684 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.62 109.63 19.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.496 -0.32 . . . . 99.99 110.954 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -87.86 125.85 63.32 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.476 -0.329 . . . . 99.99 110.639 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.54 152.52 33.84 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.332 2.021 . . . . 10.0 111.239 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.15 -14.75 46.85 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.613 2.209 . . . . 10.0 111.754 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -91.91 14.29 16.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.795 -0.639 . . . . 99.99 111.008 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -66.46 144.58 98.73 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.183 -0.673 . . . . 99.99 109.183 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -98.25 26.74 18.03 Favored 'Cis proline' 0 N--CA 1.458 -0.568 0 C-N-CA 124.281 -1.133 . . . . 10.0 112.731 0.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -78.9 -22.85 45.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.401 0.62 . . . . 99.99 109.699 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -116.74 140.08 26.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.311 -0.859 . . . . 99.99 109.972 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.16 143.14 58.14 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.86 2.373 . . . . 10.0 113.081 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.41 143.29 38.55 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.704 2.269 . . . . 10.0 111.617 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.0 mtm -92.23 99.29 12.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.274 -0.421 . . . . 99.99 110.782 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.7 mt -104.04 126.08 58.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.21 -0.45 . . . . 99.99 110.002 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -138.42 169.69 17.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.333 -0.394 . . . . 99.99 110.42 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -98.21 127.8 44.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.723 0.297 . . . . 99.99 111.037 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.6 -28.25 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.04 -0.726 . . . . 99.99 109.04 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 m -93.85 131.91 38.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.352 -0.84 . . . . 99.99 109.374 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -66.88 115.41 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 99.99 111.194 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 tt -117.32 127.82 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.127 -0.488 . . . . 99.99 110.893 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.02 77.71 6.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 99.99 110.56 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -123.1 135.17 25.63 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 99.99 109.759 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.67 -6.34 5.66 Favored 'Trans proline' 0 N--CA 1.478 0.559 0 C-N-CA 123.169 2.579 . . . . 10.0 114.195 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -117.24 15.7 14.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.869 0.366 . . . . 99.99 110.605 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.05 140.33 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.762 -0.829 . . . . 99.99 108.762 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.92 179.45 5.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.602 0.239 . . . . 99.99 111.516 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -63.16 -30.61 71.73 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.14 0.422 . . . . 99.99 112.14 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -76.16 -29.65 57.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 99.99 111.036 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.48 24.12 6.91 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.458 -0.657 . . . . 99.99 111.458 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -86.64 150.83 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.194 -0.299 . . . . 99.99 110.194 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pt -137.28 148.47 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.89 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 103.74 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.015 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.5 mp -107.97 122.43 40.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.263 -0.426 . . . . 99.99 110.724 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -70.24 3.7 2.84 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.145 2.563 . . . . 10.0 113.052 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.7 tt -96.47 -20.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.983 0.421 . . . . 99.99 110.361 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.7 pt -126.45 25.02 2.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.416 0.626 . . . . 99.99 110.149 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.3 p -79.69 162.55 25.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.593 -0.731 . . . . 99.99 110.923 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -71.66 -23.53 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.266 0.555 . . . . 99.99 110.238 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -83.77 -45.53 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.536 -0.756 . . . . 99.99 109.855 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -119.29 107.69 13.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.987 -0.551 . . . . 99.99 110.397 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -153.52 135.5 14.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.126 -0.488 . . . . 99.99 110.284 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -133.28 121.69 16.71 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.953 -0.567 . . . . 99.99 109.635 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -64.2 -14.03 41.37 Favored 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 123.192 2.595 . . . . 10.0 112.363 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -17.09 60.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.76 -0.655 . . . . 99.99 111.111 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.35 144.31 30.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.011 -0.541 . . . . 99.99 110.646 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -108.2 171.31 7.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.377 -0.374 . . . . 99.99 110.218 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -59.45 -31.28 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.472 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -50.9 69.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.865 -0.607 . . . . 99.99 111.876 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -68.6 -31.69 71.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.461 -0.336 . . . . 99.99 111.796 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.47 -45.36 89.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.673 -0.492 . . . . 99.99 109.673 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.69 -34.3 77.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.022 -0.536 . . . . 99.99 110.666 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.91 -47.61 79.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.726 -0.472 . . . . 99.99 109.726 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.98 -38.15 81.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.744 -0.662 . . . . 99.99 110.284 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.99 -46.37 88.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.834 -0.621 . . . . 99.99 110.492 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -58.86 -40.41 84.21 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.081 0.467 . . . . 99.99 110.297 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.75 -45.64 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.86 -0.609 . . . . 99.99 110.281 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.57 -30.46 71.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 99.99 111.611 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.2 t -74.83 -49.44 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.59 -0.277 . . . . 99.99 111.01 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -71.3 -32.89 69.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 99.99 111.303 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -117.5 91.04 36.83 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.629 -0.508 . . . . 99.99 109.629 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.01 121.2 7.84 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.966 2.444 . . . . 10.0 111.897 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -76.88 111.84 12.84 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.268 -0.641 . . . . 99.99 109.268 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.2 pt -89.8 -14.95 8.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 99.99 111.651 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -85.3 -30.97 23.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.355 0.598 . . . . 99.99 109.766 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -132.17 66.6 77.73 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.2 -0.909 . . . . 99.99 109.707 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -97.19 174.61 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.955 2.437 . . . . 10.0 112.526 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.15 -15.9 14.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 99.99 109.373 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -127.39 105.71 8.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.511 -0.768 . . . . 99.99 110.51 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 92.5 mtp -69.31 -25.61 64.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.269 -0.423 . . . . 99.99 110.778 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -68.5 -40.78 80.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 99.99 111.474 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.6 mp -84.57 -35.24 22.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.546 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.61 83.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 99.99 111.195 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.28 -43.55 97.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.157 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.46 -45.72 84.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.737 -0.665 . . . . 99.99 111.56 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.23 -34.32 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.012 0.434 . . . . 99.99 110.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.2 m -71.03 -34.95 71.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.863 -0.608 . . . . 99.99 110.938 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -82.31 -57.27 3.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.406 -0.361 . . . . 99.99 111.786 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -141.63 104.02 5.88 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.836 0.35 . . . . 99.99 111.163 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.98 -32.46 65.24 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.083 2.522 . . . . 10.0 112.093 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -68.36 -44.03 76.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.425 -0.352 . . . . 99.99 110.552 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 27.5 tp -62.85 -38.93 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.184 0.516 . . . . 99.99 109.92 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -66.76 -42.78 85.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.486 -0.779 . . . . 99.99 109.505 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.3 ttp85 -59.87 -40.56 89.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.697 -0.683 . . . . 99.99 111.347 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -55.85 -57.21 13.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.84 0.353 . . . . 99.99 111.486 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -64.14 -41.52 97.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 99.99 111.629 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.62 81.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.149 -0.478 . . . . 99.99 111.773 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.75 -48.21 75.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.644 -0.253 . . . . 99.99 111.322 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.17 -40.4 89.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.912 0.387 . . . . 99.99 110.059 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -62.99 -45.01 94.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.741 -0.663 . . . . 99.99 110.215 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 31.0 m -64.48 -45.33 87.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.695 -0.684 . . . . 99.99 111.266 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 65.7 mt -79.81 15.89 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.374 . . . . 99.99 111.722 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -127.14 -56.9 1.33 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.884 0.373 . . . . 99.99 111.256 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -89.46 -33.69 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.083 -0.508 . . . . 99.99 111.563 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -63.73 153.6 46.96 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.96 -0.564 . . . . 99.99 113.434 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 15.0 t -83.61 147.54 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.723 -0.843 . . . . 99.99 108.723 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -55.98 137.41 50.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.612 0.244 . . . . 99.99 111.472 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 99.99 110.582 -179.505 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ptt? . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.651 0.262 . . . . 99.99 110.436 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -86.39 130.93 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.015 0.436 . . . . 99.99 111.38 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 pt -131.23 168.4 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.052 -0.721 . . . . 99.99 109.052 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -119.76 131.97 55.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.708 0.29 . . . . 99.99 111.341 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -113.64 114.85 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.002 -0.74 . . . . 99.99 109.002 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -103.82 120.47 41.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 99.99 111.364 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.8 p -80.43 177.57 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.661 -0.699 . . . . 99.99 110.827 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 74.5 mt -74.68 -10.69 59.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.919 0.39 . . . . 99.99 111.424 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.09 2.75 49.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.08 0.467 . . . . 99.99 111.072 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.44 -12.39 68.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 99.99 113.107 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -67.82 108.27 2.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.131 -0.322 . . . . 99.99 110.131 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -98.28 119.39 36.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.864 -0.607 . . . . 99.99 109.698 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 pt -105.48 151.17 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.257 -0.429 . . . . 99.99 111.385 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.54 120.39 32.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.902 -0.59 . . . . 99.99 109.819 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 tp -121.2 147.39 45.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.85 0.357 . . . . 99.99 110.574 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -122.25 115.82 23.04 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.128 0.489 . . . . 99.99 111.309 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.1 160.42 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.559 -0.746 . . . . 99.99 109.577 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -106.34 160.16 27.19 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.768 -0.456 . . . . 99.99 109.768 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.09 -25.89 56.9 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.55 2.167 . . . . 10.0 112.573 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.52 -6.27 58.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.951 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.05 143.21 39.46 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.81 0.338 . . . . 99.99 111.091 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 21.7 p -86.83 156.12 20.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 99.99 110.104 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -61.43 -34.92 63.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.905 0.383 . . . . 99.99 110.099 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.67 -41.31 97.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.508 . . . . 99.99 110.164 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -69.19 -34.92 75.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.108 0.48 . . . . 99.99 109.982 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.26 -44.47 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 99.99 109.45 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.478 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 96.5 mttt -60.94 -39.48 89.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.744 -0.662 . . . . 99.99 110.573 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.78 86.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 99.99 110.633 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -67.87 -38.32 82.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 99.99 110.567 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.04 -38.12 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 99.99 109.84 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -67.41 -32.66 73.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.182 0.515 . . . . 99.99 110.116 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.33 -52.34 58.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.677 -0.692 . . . . 99.99 112.085 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -45.1 19.3 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.841 0.682 . . . . 99.99 112.841 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -87.49 -75.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.736 0.303 . . . . 99.99 111.071 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.24 -13.87 3.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.648 -0.787 . . . . 99.99 111.969 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mt -57.53 123.21 60.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.264 . . . . 99.99 110.488 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.74 136.53 76.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.958 2.438 . . . . 10.0 111.622 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.58 -27.08 67.77 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.188 2.592 . . . . 10.0 111.751 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.91 -26.84 65.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.48 -0.782 . . . . 99.99 110.51 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -102.09 12.7 36.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.381 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -99.93 104.5 16.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.084 0.401 . . . . 99.99 112.084 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -105.33 90.68 3.5 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.95 -0.759 . . . . 99.99 108.95 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 mt -82.68 125.42 31.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.705 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 29.6 mm -115.59 134.53 58.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.877 -0.601 . . . . 99.99 110.422 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -151.89 134.67 15.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.602 -0.518 . . . . 99.99 109.602 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.86 27.82 17.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.056 0.455 . . . . 99.99 111.592 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.32 -2.1 83.02 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.771 -0.65 . . . . 99.99 113.694 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -119.75 160.92 21.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.991 0.424 . . . . 99.99 111.827 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -84.58 136.99 33.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.612 -0.722 . . . . 99.99 110.746 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -79.64 112.76 17.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.167 -0.47 . . . . 99.99 110.08 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -76.27 130.39 38.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.982 -0.553 . . . . 99.99 110.898 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.478 ' CG ' ' HZ2' ' B' ' 27' ' ' LYS . 5.3 m-20 -53.33 -40.26 64.73 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.164 0.801 . . . . 99.99 113.164 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.93 19.19 7.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.907 -0.663 . . . . 99.99 113.987 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -123.41 168.93 11.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.249 0.524 . . . . 99.99 110.552 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 20.4 p -108.96 173.94 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.412 -0.358 . . . . 99.99 110.878 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.1 mt -65.59 -31.38 72.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 99.99 111.228 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -22.21 63.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 99.99 111.313 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.47 -29.65 70.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.137 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -110.47 8.51 23.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 99.99 110.127 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 57.44 43.92 22.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.491 -0.777 . . . . 99.99 111.407 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -76.23 120.2 25.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 99.99 109.908 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -102.42 -172.39 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.051 -0.522 . . . . 99.99 110.271 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -74.3 155.1 38.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.603 0.24 . . . . 99.99 111.334 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 63.64 21.99 12.95 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.698 0.629 . . . . 99.99 112.698 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.3 m -86.84 139.8 30.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.676 -0.238 . . . . 99.99 110.425 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -100.67 119.96 39.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.866 0.365 . . . . 99.99 111.249 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 73.1 mt -97.28 139.87 32.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.356 -0.609 . . . . 99.99 109.356 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -94.2 112.37 24.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.106 -0.331 . . . . 99.99 110.106 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 tp -95.77 105.18 17.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.07 0.462 . . . . 99.99 111.585 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.3 t -93.67 123.8 45.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.733 -0.667 . . . . 99.99 109.21 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mp -76.3 108.3 9.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.137 -0.483 . . . . 99.99 110.783 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.909 -0.587 . . . . 99.99 110.105 179.789 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.477 0.18 . . . . 99.99 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -39.64 49.33 Favored 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 112.349 0.5 . . . . 99.99 112.349 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.3 mtm -53.17 -54.7 31.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.732 0.301 . . . . 99.99 111.779 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -71.62 -37.2 70.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.615 -0.266 . . . . 99.99 111.615 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.0 t -57.61 -48.57 82.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.782 0.325 . . . . 99.99 110.433 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.83 -36.12 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 99.99 110.307 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.46 -46.29 83.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 99.99 110.538 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.54 -34.08 73.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 99.99 110.19 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.64 -45.92 91.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.545 -0.909 . . . . 99.99 108.545 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -63.04 -43.74 97.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.676 -0.693 . . . . 99.99 109.672 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -54.68 -53.92 48.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.878 -0.601 . . . . 99.99 110.82 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.56 -25.61 61.42 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.103 0.779 . . . . 99.99 113.103 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -79.15 -32.7 44.44 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.696 -0.402 . . . . 99.99 111.019 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -74.57 -38.88 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.329 -0.619 . . . . 99.99 109.329 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -128.4 81.25 70.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.621 -0.718 . . . . 99.99 109.523 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.66 134.8 18.9 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.987 2.458 . . . . 10.0 112.366 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -64.3 145.98 89.34 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.609 2.206 . . . . 10.0 110.744 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -61.27 -14.99 37.36 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.795 2.33 . . . . 10.0 112.814 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -108.29 11.32 27.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.409 -0.36 . . . . 99.99 111.494 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.2 tp -132.81 124.1 27.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.674 0.273 . . . . 99.99 110.586 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -133.52 163.17 30.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.362 -0.381 . . . . 99.99 110.617 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.9 t30 57.64 31.8 20.92 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.796 -0.638 . . . . 99.99 112.343 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 tp -69.63 104.87 2.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.946 0.403 . . . . 99.99 110.821 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.99 164.67 27.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.061 -0.518 . . . . 99.99 110.273 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 p -87.9 161.09 17.67 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.592 -0.521 . . . . 99.99 109.592 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.49 145.33 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.647 -0.501 . . . . 99.99 109.647 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -52.69 -40.59 63.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.486 0.551 . . . . 99.99 112.486 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.86 -31.71 6.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.691 0.626 . . . . 99.99 112.691 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -100.32 121.95 42.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.269 0.557 . . . . 99.99 112.294 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.19 -15.2 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.138 -0.483 . . . . 99.99 110.726 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.4 mt -93.47 10.52 32.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.424 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.9 t -126.96 125.99 67.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.805 0.336 . . . . 99.99 110.382 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 48.7 m0 -103.95 144.29 31.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.251 -0.432 . . . . 99.99 110.959 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -126.27 115.57 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.093 -1.077 . . . . 99.99 108.093 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.73 169.7 17.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 99.99 112.046 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -113.39 129.46 56.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.599 -0.728 . . . . 99.99 110.378 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.1 tp -94.35 132.45 38.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.144 -0.687 . . . . 99.99 109.144 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -112.52 90.36 14.51 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.168 -0.469 . . . . 99.99 110.731 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.59 146.88 68.95 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.407 2.071 . . . . 10.0 111.622 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -99.53 -28.44 13.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 99.99 110.706 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.81 129.64 86.44 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.888 -0.596 . . . . 99.99 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.92 150.79 67.74 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.739 2.293 . . . . 10.0 110.919 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -92.64 15.41 46.13 Favored 'Cis proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.962 -1.266 . . . . 10.0 112.255 -0.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -70.29 -9.91 57.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.574 0.702 . . . . 99.99 110.268 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -78.34 -11.31 59.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.41 -0.814 . . . . 99.99 110.827 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.92 -39.49 66.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.828 0.307 . . . . 99.99 111.828 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -132.66 -160.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.57 -0.286 . . . . 99.99 110.571 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -132.5 168.03 18.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.758 -0.46 . . . . 99.99 109.758 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -131.39 143.65 50.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.596 0.236 . . . . 99.99 110.666 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -93.5 135.47 34.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.739 0.304 . . . . 99.99 110.794 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 pp -122.38 151.36 41.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.149 -0.478 . . . . 99.99 111.104 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -122.88 112.96 18.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.723 -0.671 . . . . 99.99 110.235 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.1 mt -99.53 112.78 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.58 -0.526 . . . . 99.99 109.58 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -108.35 120.46 42.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.918 0.39 . . . . 99.99 111.019 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -93.54 128.53 41.84 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.067 -0.515 . . . . 99.99 110.787 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.438 ' C ' ' H ' ' A' ' 59' ' ' GLU . 58.2 Cg_endo -72.81 155.29 53.74 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.442 2.095 . . . . 10.0 111.045 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.24 12.52 0.62 Allowed 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.797 2.331 . . . . 10.0 112.061 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 57' ' ' PRO . 17.0 mt-10 -120.42 17.67 12.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.645 -0.707 . . . . 99.99 109.559 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -67.95 144.06 96.83 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 99.99 110.196 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -97.37 25.01 21.51 Favored 'Cis proline' 0 C--N 1.347 0.49 0 C-N-CA 124.017 -1.243 . . . . 10.0 112.895 0.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -73.61 -29.23 62.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.204 0.526 . . . . 99.99 109.961 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -110.11 142.9 26.9 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.594 -0.73 . . . . 99.99 109.996 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.04 144.0 62.1 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.882 2.388 . . . . 10.0 113.467 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.25 133.62 16.45 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.683 2.255 . . . . 10.0 111.01 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.3 mtm -87.32 107.79 18.67 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.029 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.5 mt -108.25 118.35 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.134 -0.485 . . . . 99.99 110.122 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -128.68 159.36 35.87 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.006 -0.368 . . . . 99.99 110.006 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -85.97 140.85 29.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.772 0.32 . . . . 99.99 110.51 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.87 4.51 45.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.385 0.612 . . . . 99.99 109.723 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.34 155.99 48.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.687 -0.688 . . . . 99.99 109.571 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -82.98 104.04 12.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.961 0.41 . . . . 99.99 111.453 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.1 tt -104.35 124.01 58.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.079 -0.51 . . . . 99.99 110.699 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -78.2 74.53 4.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.914 -0.584 . . . . 99.99 110.425 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -123.32 132.71 24.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 99.99 110.123 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.0 -20.83 47.01 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.18 2.587 . . . . 10.0 114.179 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -107.5 18.25 21.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.752 0.311 . . . . 99.99 111.49 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.6 t -133.3 140.25 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.69 -0.485 . . . . 99.99 109.69 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -88.44 157.95 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 99.99 110.189 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.45 -24.06 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.934 0.716 . . . . 99.99 112.934 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -83.94 -1.36 54.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.327 0.584 . . . . 99.99 110.197 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.89 19.38 43.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.982 -0.627 . . . . 99.99 111.608 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -85.57 145.55 27.31 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.18 -0.304 . . . . 99.99 110.18 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.2 pt -134.59 176.23 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.565 -0.289 . . . . 99.99 110.574 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.3 m -137.85 102.93 4.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.621 -0.718 . . . . 99.99 109.121 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tp -118.37 116.77 35.16 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 116.203 -0.453 . . . . 99.99 110.846 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.9 -0.26 3.08 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.197 2.598 . . . . 10.0 113.301 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -95.04 -25.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.726 0.298 . . . . 99.99 111.234 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.8 pt -104.6 -27.43 3.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.982 -0.287 . . . . 99.99 111.367 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.8 p -51.95 142.36 15.81 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.881 -0.6 . . . . 99.99 110.367 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -7.58 1.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.29 0.478 . . . . 99.99 112.29 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -71.96 -28.23 63.3 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.38 -0.373 . . . . 99.99 111.344 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -153.63 41.3 0.53 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.058 0.456 . . . . 99.99 111.634 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -83.27 127.99 34.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.041 0.448 . . . . 99.99 111.455 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -122.24 122.59 27.45 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.697 -0.683 . . . . 99.99 109.466 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.88 -18.09 47.54 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.301 2.668 . . . . 10.0 113.424 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.4 p -78.34 -12.03 59.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 99.99 111.301 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -80.43 134.52 36.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 99.99 110.591 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -90.48 161.47 15.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.162 -0.472 . . . . 99.99 110.416 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -64.89 -27.76 69.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.096 -0.502 . . . . 99.99 110.157 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.74 -37.5 86.83 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.916 -0.584 . . . . 99.99 110.166 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -70.9 -35.67 72.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 99.99 109.818 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.91 -46.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.64 -0.709 . . . . 99.99 109.856 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.37 -33.22 74.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.875 -0.602 . . . . 99.99 110.485 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.66 -49.71 67.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.862 -0.608 . . . . 99.99 109.672 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.15 -39.49 90.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 99.99 109.983 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.99 -48.79 80.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.789 -0.641 . . . . 99.99 109.906 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -57.44 -39.95 77.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 99.99 110.659 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.78 -48.4 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.985 -0.552 . . . . 99.99 110.187 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.52 -31.99 73.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 99.99 112.007 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.7 t -72.21 -48.24 49.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.59 -0.277 . . . . 99.99 110.691 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -73.81 -31.38 63.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.983 0.42 . . . . 99.99 111.682 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -119.54 95.39 49.21 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.384 -0.599 . . . . 99.99 109.384 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.11 122.4 9.48 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.977 2.451 . . . . 10.0 113.265 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -79.25 92.29 5.1 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.232 -0.655 . . . . 99.99 109.232 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.7 pt -72.96 -10.68 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 99.99 112.002 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -74.64 -42.47 58.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.614 -0.513 . . . . 99.99 109.614 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -134.99 77.34 56.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.519 -0.764 . . . . 99.99 109.951 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -97.15 177.89 0.5 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.284 2.656 . . . . 10.0 112.433 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.8 mp -100.87 -43.29 6.13 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.311 -0.626 . . . . 99.99 109.311 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -101.75 103.63 14.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.535 -0.757 . . . . 99.99 110.196 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.7 mtp -56.75 -44.63 81.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.537 -0.756 . . . . 99.99 110.996 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -57.49 -48.33 79.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.727 -0.669 . . . . 99.99 112.504 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.83 -39.83 94.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.468 -0.333 . . . . 99.99 111.618 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.66 74.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.966 0.412 . . . . 99.99 110.571 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -60.11 -53.05 62.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.703 -0.68 . . . . 99.99 109.615 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 12.9 tp -55.64 -45.47 77.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.224 -0.898 . . . . 99.99 112.048 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 67.4 tp -62.4 -31.96 72.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 99.99 111.628 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.9 m -79.76 -26.47 40.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.233 -0.44 . . . . 99.99 111.056 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -87.44 -51.66 5.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.244 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -140.77 106.63 6.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.724 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.13 -35.78 51.15 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.688 2.259 . . . . 10.0 112.103 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -68.78 -39.37 80.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 99.99 111.177 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.7 tp -62.65 -42.69 99.75 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.95 0.405 . . . . 99.99 110.356 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -70.29 -39.12 75.06 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.347 -0.612 . . . . 99.99 109.347 178.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -58.6 -48.25 81.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.766 -0.652 . . . . 99.99 110.833 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -58.42 -43.31 88.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.995 0.426 . . . . 99.99 110.796 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -66.25 -50.43 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 99.99 111.64 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.84 91.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.265 -0.425 . . . . 99.99 110.922 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.82 -50.43 73.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 99.99 109.972 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -56.72 -46.19 81.43 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.395 -0.82 . . . . 99.99 110.544 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.35 -40.87 90.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.023 -0.535 . . . . 99.99 112.119 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.3 m -63.89 -35.92 82.22 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.292 0.568 . . . . 99.99 111.097 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.0 mt -90.6 10.62 24.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 99.99 110.826 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -119.36 -49.1 2.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.349 -0.387 . . . . 99.99 111.269 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -121.91 33.74 5.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.361 -0.381 . . . . 99.99 110.96 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -112.72 151.77 18.1 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.831 -0.7 . . . . 99.99 112.148 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.5 t -80.84 156.65 4.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.979 -0.749 . . . . 99.99 108.979 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.47 150.65 26.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.796 0.331 . . . . 99.99 111.679 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.015 -179.146 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.307 -0.257 . . . . 99.99 110.307 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -97.27 128.77 44.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.331 -0.395 . . . . 99.99 111.515 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -130.74 165.97 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.156 -0.683 . . . . 99.99 109.156 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -122.9 130.7 53.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.737 0.303 . . . . 99.99 110.853 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 t -115.08 111.61 36.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.803 -0.443 . . . . 99.99 109.803 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -101.4 128.43 47.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.925 0.393 . . . . 99.99 110.915 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 21.5 p -94.22 175.57 6.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.803 -0.635 . . . . 99.99 110.278 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.55 -8.34 55.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.374 -0.375 . . . . 99.99 111.806 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.9 p -97.28 2.73 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.035 0.445 . . . . 99.99 111.06 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.28 -9.87 71.26 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.974 -0.631 . . . . 99.99 112.171 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -70.73 102.96 2.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.066 0.46 . . . . 99.99 110.091 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -96.7 110.4 22.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.787 -0.642 . . . . 99.99 110.023 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 27.2 pt -104.58 140.46 22.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.17 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 146.37 28.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.662 -0.866 . . . . 99.99 108.662 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 tp -136.19 133.5 37.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.147 0.499 . . . . 99.99 111.5 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -100.3 103.33 14.75 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.745 -0.661 . . . . 99.99 110.311 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.05 156.05 24.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.498 -0.774 . . . . 99.99 109.752 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -104.3 162.75 18.94 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.742 -0.836 . . . . 99.99 108.742 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.16 -26.15 58.91 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.089 1.86 . . . . 10.0 111.227 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.47 -10.99 59.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.343 -0.844 . . . . 99.99 112.108 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.55 130.76 43.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.994 0.426 . . . . 99.99 111.093 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.04 152.38 29.43 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.967 -0.753 . . . . 99.99 108.967 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.0 mm -56.72 -36.58 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.989 0.423 . . . . 99.99 110.906 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.53 -41.68 97.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.011 -0.54 . . . . 99.99 110.196 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.17 -34.76 78.23 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.081 0.467 . . . . 99.99 109.858 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.05 -45.16 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.612 -0.722 . . . . 99.99 109.219 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.45 -37.1 85.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 99.99 110.936 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.95 98.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 99.99 110.415 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.91 -35.24 79.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.556 . . . . 99.99 110.818 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.54 -40.16 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.588 -0.523 . . . . 99.99 109.588 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -67.04 -26.63 66.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.3 0.572 . . . . 99.99 109.705 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.18 -45.48 73.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.431 -0.804 . . . . 99.99 111.216 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -85.85 -54.76 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.007 0.743 . . . . 99.99 113.007 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -79.23 -55.33 5.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.069 0.461 . . . . 99.99 111.746 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.22 -6.12 15.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.566 -0.826 . . . . 99.99 112.279 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.8 mt -66.57 121.74 78.65 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.037 -0.357 . . . . 99.99 110.037 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -62.17 140.72 85.11 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.568 2.179 . . . . 10.0 111.265 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.45 -23.21 37.73 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.189 2.593 . . . . 10.0 112.437 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.93 -32.24 73.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.891 -0.595 . . . . 99.99 110.989 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -99.82 3.41 44.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.799 -0.637 . . . . 99.99 111.201 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -91.28 97.56 11.19 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.103 0.408 . . . . 99.99 112.103 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -98.1 88.8 4.31 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.864 -0.791 . . . . 99.99 108.864 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 39.6 mt -80.71 120.98 25.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.603 -0.726 . . . . 99.99 111.996 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.54 129.32 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 99.99 109.598 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -131.15 120.87 23.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.577 -0.283 . . . . 99.99 110.933 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.04 19.17 5.73 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.12 0.785 . . . . 99.99 113.12 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.57 -4.7 50.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 99.99 113.027 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -110.45 149.28 30.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 99.99 111.222 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -84.65 130.32 34.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.895 -0.593 . . . . 99.99 109.605 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.2 mt -79.54 109.58 14.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.349 -0.387 . . . . 99.99 111.116 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -79.03 130.12 35.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.047 -0.524 . . . . 99.99 110.2 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -53.0 -34.3 55.64 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.632 0.975 . . . . 99.99 113.632 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.16 -13.69 82.52 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.858 -0.687 . . . . 99.99 114.18 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -97.55 163.8 12.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.299 0.549 . . . . 99.99 111.401 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 76.6 p -102.34 177.79 4.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.184 -0.462 . . . . 99.99 110.43 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 mt -69.25 -32.62 71.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.998 0.427 . . . . 99.99 110.225 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -14.85 63.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 99.99 111.38 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.45 -27.73 64.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.401 . . . . 99.99 111.652 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -112.35 10.54 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.28 -0.418 . . . . 99.99 111.182 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 59.72 41.55 18.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.407 0.622 . . . . 99.99 111.175 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.4 mt -75.58 122.68 29.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.829 -0.623 . . . . 99.99 109.833 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -104.39 -173.9 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.2 -0.455 . . . . 99.99 110.916 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 151.84 41.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.335 -0.393 . . . . 99.99 111.347 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 66.22 16.85 10.58 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.116 0.784 . . . . 99.99 113.116 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.5 m -77.87 139.61 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.245 -0.28 . . . . 99.99 110.245 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -102.84 116.75 33.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.138 0.494 . . . . 99.99 111.327 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 49.5 mt -94.28 150.39 20.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.095 -0.706 . . . . 99.99 109.095 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -105.33 114.82 29.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.908 -0.404 . . . . 99.99 109.908 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 46.7 tp -96.68 108.15 20.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.032 0.444 . . . . 99.99 111.259 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.1 t -97.62 130.05 46.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.767 -0.651 . . . . 99.99 109.314 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 33.2 tp -76.58 140.67 41.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.368 -0.378 . . . . 99.99 110.879 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 29.9 ttp85 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.042 -0.527 . . . . 99.99 110.572 179.577 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.805 0.336 . . . . 99.99 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -25.18 65.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 99.99 112.003 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.6 ttt -53.49 -46.31 69.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 99.99 111.567 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -79.11 -36.86 40.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.894 -0.323 . . . . 99.99 110.408 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -55.3 -47.86 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.537 . . . . 99.99 111.424 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.29 -41.01 89.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.909 0.385 . . . . 99.99 110.601 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -66.53 -43.87 83.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.072 -0.513 . . . . 99.99 111.057 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.94 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.973 -0.558 . . . . 99.99 110.503 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.61 -50.96 71.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 99.99 110.94 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -57.41 -48.05 80.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.001 -0.545 . . . . 99.99 111.347 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.38 -43.61 93.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.147 0.425 . . . . 99.99 112.147 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.1 mt -67.67 -25.43 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.367 -0.379 . . . . 99.99 111.517 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -79.25 -17.06 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 99.99 110.498 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -81.15 -48.37 12.22 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.218 -0.66 . . . . 99.99 109.218 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -124.41 73.77 60.29 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.392 -0.822 . . . . 99.99 110.826 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.92 130.45 8.52 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.661 2.241 . . . . 10.0 111.178 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.84 149.82 81.29 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.615 2.21 . . . . 10.0 111.095 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.48 -27.86 51.74 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 123.014 2.476 . . . . 10.0 113.611 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -88.78 2.28 53.77 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.538 0.57 . . . . 99.99 112.538 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 tp -123.89 113.41 18.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 99.99 110.185 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -122.88 158.14 30.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.41 -0.359 . . . . 99.99 111.437 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 56.6 32.91 21.81 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.945 0.72 . . . . 99.99 112.945 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.8 tp -65.47 109.19 2.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.119 0.485 . . . . 99.99 110.869 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -147.11 168.4 21.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.912 -0.585 . . . . 99.99 110.783 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 p -96.08 160.47 14.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.246 -0.434 . . . . 99.99 109.907 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.88 146.3 54.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.834 -0.432 . . . . 99.99 109.834 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.96 -18.53 64.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.973 -0.558 . . . . 99.99 112.361 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.55 -1.88 11.59 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.046 0.758 . . . . 99.99 113.046 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -157.54 130.99 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 99.99 111.323 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -79.86 -17.97 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.295 -0.412 . . . . 99.99 111.161 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -82.89 3.88 27.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 99.99 111.783 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.4 t -121.98 121.54 64.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.656 -0.498 . . . . 99.99 109.656 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -105.07 146.0 29.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.196 0.522 . . . . 99.99 111.942 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -124.29 121.67 35.65 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.908 -1.145 . . . . 99.99 107.908 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.32 155.86 40.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.954 0.406 . . . . 99.99 111.719 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.3 mt -106.51 122.16 45.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.716 -0.674 . . . . 99.99 109.869 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.2 tp -93.03 131.9 37.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.867 -0.419 . . . . 99.99 109.867 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.6 mp -113.0 94.37 29.55 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.134 -0.484 . . . . 99.99 110.662 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.12 150.31 53.72 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.675 2.25 . . . . 10.0 111.33 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -97.9 -36.19 10.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.904 0.383 . . . . 99.99 111.266 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.95 128.79 89.64 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.797 -0.638 . . . . 99.99 111.143 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -69.57 148.73 66.94 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.658 2.239 . . . . 10.0 110.998 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -96.33 23.46 25.15 Favored 'Cis proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.719 -1.367 . . . . 10.0 112.279 0.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -69.8 -9.02 53.08 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.409 0.623 . . . . 99.99 110.291 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -74.32 -15.5 60.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.417 -0.811 . . . . 99.99 110.676 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.38 -44.86 86.24 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.686 0.624 . . . . 99.99 112.686 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -132.26 -162.78 1.26 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.852 0.358 . . . . 99.99 111.322 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.49 167.94 15.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 99.99 109.405 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -132.52 132.87 43.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 99.99 111.05 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -88.75 131.61 34.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.465 -0.334 . . . . 99.99 110.566 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 pp -118.13 150.59 39.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.407 -0.361 . . . . 99.99 111.091 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -116.0 114.78 25.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.005 -0.543 . . . . 99.99 110.387 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.5 mt -98.96 108.66 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.411 -0.589 . . . . 99.99 109.411 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -104.19 111.87 24.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.917 0.389 . . . . 99.99 110.877 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -84.78 133.74 43.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.113 -0.494 . . . . 99.99 110.699 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -79.84 154.5 23.14 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.664 2.242 . . . . 10.0 111.193 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -63.17 -15.06 45.66 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.701 2.267 . . . . 10.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -93.94 8.9 39.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.451 -0.34 . . . . 99.99 111.549 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -60.19 141.64 90.46 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 110.241 -0.281 . . . . 99.99 110.241 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -97.2 27.87 17.25 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 124.315 -1.119 . . . . 10.0 113.217 0.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -85.62 -12.74 50.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.367 0.603 . . . . 99.99 109.854 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.96 137.03 27.5 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.23 -0.895 . . . . 99.99 109.113 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.67 139.75 53.97 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.675 2.25 . . . . 10.0 112.689 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.21 145.2 38.55 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.673 2.249 . . . . 10.0 111.219 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 76.2 mtm -94.66 109.75 21.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.326 -0.397 . . . . 99.99 110.554 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 51.4 mt -110.16 126.68 67.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.579 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 158.45 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.052 -0.522 . . . . 99.99 109.657 179.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -90.89 120.04 31.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.71 0.291 . . . . 99.99 111.589 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -66.52 -45.61 78.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.319 -0.993 . . . . 99.99 108.319 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.05 145.9 26.3 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.307 -0.861 . . . . 99.99 108.686 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -82.01 132.79 35.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.95 0.405 . . . . 99.99 111.936 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.6 tt -125.07 128.31 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.83 -0.623 . . . . 99.99 111.539 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -76.42 80.35 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.781 -0.645 . . . . 99.99 109.987 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -130.6 136.34 28.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.211 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -62.04 -9.47 14.7 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.365 2.71 . . . . 10.0 114.034 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -113.67 18.05 17.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.9 0.381 . . . . 99.99 110.777 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.0 t -129.24 139.7 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.157 -0.683 . . . . 99.99 109.157 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.43 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -82.19 169.05 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.709 -0.223 . . . . 99.99 111.121 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.1 -24.98 67.45 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.168 0.803 . . . . 99.99 113.168 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.43 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 11.3 t30 -84.68 -39.91 18.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 99.99 111.204 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.33 18.33 1.18 Allowed Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 116.018 -0.537 . . . . 99.99 111.919 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.45 146.63 25.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 99.99 110.804 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.47 158.09 43.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.012 -0.54 . . . . 99.99 110.438 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 m -115.63 101.45 8.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.063 0.459 . . . . 99.99 109.981 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.9 tp -107.51 111.72 62.74 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.937 -0.574 . . . . 99.99 110.3 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.95 -15.95 35.96 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.215 2.61 . . . . 10.0 113.529 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 tt -75.93 -20.15 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.983 0.42 . . . . 99.99 111.161 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 pt -129.02 32.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.318 0.58 . . . . 99.99 109.554 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.3 p -83.12 161.45 21.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.578 -0.737 . . . . 99.99 111.11 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -68.23 -17.67 64.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.867 -0.606 . . . . 99.99 111.264 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -103.22 -17.53 15.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.325 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -137.55 97.57 3.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.884 -0.413 . . . . 99.99 109.884 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 35.4 t-105 -149.78 133.99 17.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.068 -0.515 . . . . 99.99 110.215 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -131.87 123.4 19.07 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.973 -0.558 . . . . 99.99 109.724 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.16 -20.01 66.04 Favored 'Trans proline' 0 N--CA 1.475 0.423 0 C-N-CA 123.127 2.551 . . . . 10.0 112.92 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.26 -13.31 60.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.197 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.5 m -81.78 133.59 35.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.07 -0.514 . . . . 99.99 110.284 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -103.52 166.31 10.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.159 -0.473 . . . . 99.99 110.682 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m -58.91 -32.09 69.22 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.126 0.417 . . . . 99.99 112.126 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.51 -32.65 71.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.934 0.397 . . . . 99.99 111.504 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -78.64 -39.37 37.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.008 0.432 . . . . 99.99 110.283 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.3 -43.94 97.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 99.99 110.084 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.25 -37.11 84.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.869 -0.605 . . . . 99.99 111.192 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.43 -47.56 72.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.585 -0.524 . . . . 99.99 109.585 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.01 94.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.886 -0.597 . . . . 99.99 110.362 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.38 -46.86 88.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 99.99 110.375 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.27 -41.33 84.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.122 -0.49 . . . . 99.99 110.741 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.52 -43.59 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.442 . . . . 99.99 110.047 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.11 -34.73 76.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.023 -0.535 . . . . 99.99 110.934 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -72.69 -45.15 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.289 -0.414 . . . . 99.99 111.038 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -73.28 -32.76 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.36 -0.382 . . . . 99.99 111.984 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -106.9 97.63 18.34 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.223 -0.444 . . . . 99.99 110.533 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.48 108.93 2.33 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.731 2.287 . . . . 10.0 112.079 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -78.7 107.71 11.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.925 -0.579 . . . . 99.99 110.484 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 36.3 pt -90.45 -6.98 10.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.002 -0.544 . . . . 99.99 111.712 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -50.6 9.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.247 0.546 . . . . 99.99 109.789 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -126.67 74.22 75.0 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.55 -0.75 . . . . 99.99 109.014 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -98.11 177.66 0.43 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.165 2.577 . . . . 10.0 112.836 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.2 mp -100.1 -26.74 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.57 -0.741 . . . . 99.99 109.109 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -121.82 103.27 8.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.258 -0.883 . . . . 99.99 110.189 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 89.9 mtp -65.16 -31.38 72.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 99.99 110.933 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -62.87 -47.97 81.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.904 -0.589 . . . . 99.99 111.079 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.12 -36.97 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 99.99 111.392 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.8 80.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.068 0.461 . . . . 99.99 110.522 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.34 -45.99 82.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 99.99 110.03 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 42.9 tp -57.91 -44.71 86.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 99.99 111.893 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.22 -30.97 70.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 99.99 111.514 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.3 m -84.37 -30.51 25.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.239 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -78.51 -49.35 13.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.479 -0.328 . . . . 99.99 110.781 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -145.31 99.51 4.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.382 -0.372 . . . . 99.99 111.196 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.47 -34.41 86.05 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.888 2.392 . . . . 10.0 111.684 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -66.3 -45.29 80.9 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.515 -0.311 . . . . 99.99 110.546 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 17.9 tp -61.15 -40.19 92.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.988 0.423 . . . . 99.99 110.242 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -67.24 -47.98 69.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.915 -0.584 . . . . 99.99 109.743 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -60.13 -41.73 93.31 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.799 -0.637 . . . . 99.99 110.635 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -61.05 -47.08 88.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.804 -0.634 . . . . 99.99 110.619 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -65.0 -47.11 78.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.555 -0.748 . . . . 99.99 110.645 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.2 -34.55 78.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.75 -0.659 . . . . 99.99 111.513 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -58.47 -49.09 78.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.393 -0.367 . . . . 99.99 110.638 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.73 -45.2 90.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.962 -0.563 . . . . 99.99 110.424 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -60.67 -43.11 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.86 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.9 m -64.45 -35.9 82.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 99.99 111.147 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.0 mt -87.68 1.96 52.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.329 0.585 . . . . 99.99 110.91 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -105.63 -50.17 3.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.631 . . . . 99.99 110.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -125.95 57.64 1.37 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 99.99 110.312 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -127.91 150.32 18.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.781 -0.723 . . . . 99.99 111.572 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 31.3 t -83.2 151.38 4.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.427 -0.583 . . . . 99.99 109.427 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -61.99 132.24 52.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.761 0.315 . . . . 99.99 110.693 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.921 -179.375 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 121.121 0.486 . . . . 99.99 110.791 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -94.3 126.98 39.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.904 -0.589 . . . . 99.99 110.552 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -120.54 168.34 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.107 -0.497 . . . . 99.99 109.804 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -121.23 131.92 54.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.741 0.305 . . . . 99.99 110.512 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.7 t -112.59 114.04 45.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.958 -0.756 . . . . 99.99 108.958 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -107.27 126.97 53.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.337 -0.392 . . . . 99.99 111.331 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.9 p -90.0 165.52 14.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.039 -0.528 . . . . 99.99 110.229 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.77 -17.32 64.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.949 0.404 . . . . 99.99 111.083 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.14 -9.74 56.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.96 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.32 -28.06 14.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 99.99 112.477 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -55.84 118.75 4.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.741 0.305 . . . . 99.99 110.472 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -114.92 128.86 56.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.908 -0.587 . . . . 99.99 110.077 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 pt -121.78 157.45 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.918 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.27 151.34 21.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.322 -0.399 . . . . 99.99 110.097 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.7 tp -144.87 134.47 23.35 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.981 0.42 . . . . 99.99 111.62 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -96.24 108.15 20.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 99.99 109.96 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.7 m -135.55 165.82 29.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.156 -0.475 . . . . 99.99 110.653 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -110.74 159.07 33.76 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 109.483 -0.562 . . . . 99.99 109.483 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.8 -20.79 70.47 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.227 1.951 . . . . 10.0 111.732 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -95.93 11.48 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 99.99 111.858 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.22 133.14 35.02 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.562 -0.533 . . . . 99.99 109.562 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.2 153.18 28.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.692 -0.231 . . . . 99.99 110.804 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -57.6 -39.3 68.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.54 -0.3 . . . . 99.99 111.531 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.45 -38.28 86.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 99.99 110.504 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -69.36 -35.51 75.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 99.99 110.285 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.46 -43.48 98.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 99.99 109.564 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -59.23 -40.69 86.7 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.721 -0.672 . . . . 99.99 110.992 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.962 -0.563 . . . . 99.99 110.629 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -69.32 -32.85 72.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.965 -0.561 . . . . 99.99 110.585 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.15 -43.24 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 99.99 110.252 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -65.96 -32.93 74.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.009 0.433 . . . . 99.99 110.787 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -61.25 -40.51 94.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.915 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -85.94 -44.72 12.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.618 0.599 . . . . 99.99 112.618 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -87.28 -74.14 0.45 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.78 0.324 . . . . 99.99 111.183 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.9 -24.7 1.78 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.68 -0.771 . . . . 99.99 112.177 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.0 mt -57.61 119.19 30.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 C-N-CA 122.451 0.301 . . . . 99.99 111.063 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.41 141.22 94.88 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.856 2.37 . . . . 10.0 111.766 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.39 -24.33 51.49 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.433 2.756 . . . . 10.0 112.622 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.83 -33.06 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 99.99 110.623 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.14 6.94 47.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.984 -0.553 . . . . 99.99 111.269 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -95.26 124.53 39.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.904 0.383 . . . . 99.99 111.179 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -120.37 99.36 6.53 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.167 -0.679 . . . . 99.99 109.167 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.9 mt -86.67 122.82 31.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.663 0.616 . . . . 99.99 112.663 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 25.4 mm -117.76 130.67 72.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 99.99 109.762 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -141.47 125.84 17.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.596 -0.275 . . . . 99.99 110.509 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.82 22.01 12.08 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.469 0.48 . . . . 99.99 112.282 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.08 0.74 82.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.849 -0.691 . . . . 99.99 112.126 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -111.29 152.89 26.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.149 -0.315 . . . . 99.99 110.149 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.7 129.16 36.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.764 -0.458 . . . . 99.99 109.764 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 65.7 mt -76.43 117.08 17.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 99.99 111.191 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -75.81 125.77 29.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 99.99 110.212 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.48 -33.39 44.51 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.196 0.813 . . . . 99.99 113.196 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.44 -2.16 90.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.884 -0.674 . . . . 99.99 113.768 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -98.71 169.35 9.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.127 0.463 . . . . 99.99 111.197 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.79 160.86 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.675 -0.693 . . . . 99.99 110.099 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 mt -61.19 -27.65 68.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.09 0.472 . . . . 99.99 111.66 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -68.33 -28.64 67.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.815 -0.629 . . . . 99.99 111.824 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.42 -42.42 95.98 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.294 -0.412 . . . . 99.99 111.412 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -92.65 10.03 32.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.051 -0.522 . . . . 99.99 110.887 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 56.5 43.29 26.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.621 -0.718 . . . . 99.99 111.655 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -78.22 119.09 26.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.487 -0.56 . . . . 99.99 109.487 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -106.17 -165.57 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.986 -0.552 . . . . 99.99 111.063 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -73.83 149.3 41.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.36 -0.382 . . . . 99.99 111.328 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.36 17.51 10.16 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.19 0.811 . . . . 99.99 113.19 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -75.85 136.76 40.18 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.812 -0.44 . . . . 99.99 109.812 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.3 m -103.34 106.93 17.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.068 0.461 . . . . 99.99 111.35 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 67.9 mt -84.64 145.98 27.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.795 -0.639 . . . . 99.99 109.381 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -101.6 120.9 41.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.477 -0.564 . . . . 99.99 109.477 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 41.1 tp -102.09 114.36 28.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.18 0.514 . . . . 99.99 112.329 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 44.8 t -102.61 143.77 14.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 48.0 tp -94.49 121.73 36.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.821 0.343 . . . . 99.99 111.35 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.484 . . . . 99.99 109.701 179.075 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.596 0.236 . . . . 99.99 111.631 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.22 -33.6 63.22 Favored 'General case' 0 N--CA 1.461 0.078 0 N-CA-C 112.364 0.505 . . . . 99.99 112.364 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.8 ttm -51.37 -54.9 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.705 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -70.95 -37.41 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.479 -0.328 . . . . 99.99 111.028 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -56.58 -48.37 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.793 0.33 . . . . 99.99 110.872 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.4 t -65.31 -41.35 91.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.365 -0.38 . . . . 99.99 110.67 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -44.08 96.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.229 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.47 -48.1 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 99.99 110.413 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.42 -45.53 93.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 99.99 110.664 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.9 -51.0 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.585 -0.734 . . . . 99.99 111.64 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -69.69 -37.75 76.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.506 . . . . 99.99 111.745 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.8 mt -65.47 -29.86 70.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.46 -0.336 . . . . 99.99 111.395 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -75.04 -25.25 58.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.049 0.452 . . . . 99.99 110.549 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -76.74 -45.14 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.999 -0.546 . . . . 99.99 110.278 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -127.73 75.96 77.54 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.88 -0.6 . . . . 99.99 110.387 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -81.45 141.57 12.64 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.505 2.137 . . . . 10.0 112.353 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -64.18 148.82 91.19 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 123.026 2.484 . . . . 10.0 111.381 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.65 -23.04 74.9 Favored 'Trans proline' 0 N--CA 1.47 0.116 0 C-N-CA 122.898 2.399 . . . . 10.0 112.637 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -94.02 6.13 49.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.035 0.383 . . . . 99.99 112.035 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.5 tp -137.67 113.18 9.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 99.99 110.932 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -127.38 168.35 14.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.362 -0.381 . . . . 99.99 110.331 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m120 59.41 36.98 23.33 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.121 -0.491 . . . . 99.99 112.055 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.91 94.99 5.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.168 0.509 . . . . 99.99 110.274 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -124.22 157.73 34.12 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.871 -0.604 . . . . 99.99 111.464 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.47 160.28 25.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 99.99 110.005 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -70.94 145.32 50.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.968 0.413 . . . . 99.99 110.706 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -25.46 67.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.641 -0.709 . . . . 99.99 112.455 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.71 -42.17 4.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.046 0.758 . . . . 99.99 113.046 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -124.3 125.19 43.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.031 0.444 . . . . 99.99 112.16 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.91 -14.27 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 116.11 -0.496 . . . . 99.99 111.245 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.2 mt -82.79 -1.02 50.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.236 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.2 t -115.39 122.46 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.615 -0.513 . . . . 99.99 109.615 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -106.66 146.7 30.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.816 0.341 . . . . 99.99 111.341 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -126.78 118.74 25.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.053 -1.091 . . . . 99.99 108.053 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.56 156.38 45.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.02 0.438 . . . . 99.99 111.909 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.9 mt -105.51 118.16 35.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.731 -0.668 . . . . 99.99 110.057 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 tp -88.43 131.63 34.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.943 -0.571 . . . . 99.99 109.761 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -110.65 93.98 18.23 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.176 -0.466 . . . . 99.99 110.706 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -76.94 142.03 21.82 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.492 2.128 . . . . 10.0 110.025 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.16 -20.41 17.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.047 0.451 . . . . 99.99 111.329 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -65.88 129.18 94.24 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.817 -0.629 . . . . 99.99 111.045 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -67.49 143.33 62.67 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.693 2.262 . . . . 10.0 110.86 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -97.93 14.03 32.27 Favored 'Cis proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.676 -1.385 . . . . 10.0 111.955 -0.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -61.17 -22.08 64.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 99.99 111.773 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -8.49 38.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.212 0.819 . . . . 99.99 113.212 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.0 mt -75.07 -27.51 59.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.582 -0.281 . . . . 99.99 111.282 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -138.28 -167.6 2.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.372 -0.377 . . . . 99.99 110.767 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -131.38 156.23 45.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.989 -0.745 . . . . 99.99 108.989 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -124.71 133.32 53.24 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.85 0.357 . . . . 99.99 111.163 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -88.14 134.12 33.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.112 -0.494 . . . . 99.99 111.055 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 pp -119.9 149.85 41.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.973 -0.558 . . . . 99.99 110.667 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.76 118.49 33.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.797 -0.638 . . . . 99.99 110.488 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.5 mt -102.9 115.21 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.426 -0.583 . . . . 99.99 109.426 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -108.66 112.72 25.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.935 0.397 . . . . 99.99 111.076 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -89.63 130.0 44.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.067 -0.515 . . . . 99.99 111.024 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -80.96 148.48 17.26 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.515 2.143 . . . . 10.0 110.82 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -58.76 -21.12 54.9 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 122.501 2.134 . . . . 10.0 112.7 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.46 12.13 13.0 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.294 -0.254 . . . . 99.99 111.654 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -59.88 139.89 90.23 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.063 -0.347 . . . . 99.99 110.063 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -100.02 28.05 14.68 Favored 'Cis proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.193 -1.17 . . . . 10.0 113.057 0.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -73.71 -24.1 59.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.135 -0.691 . . . . 99.99 109.135 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -118.85 140.88 29.16 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 114.996 -1.002 . . . . 99.99 108.642 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.77 139.15 36.1 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 2.272 . . . . 10.0 113.378 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.86 128.97 12.9 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.597 2.198 . . . . 10.0 110.678 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.9 mtm -80.74 118.28 22.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.923 0.392 . . . . 99.99 111.287 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.5 mt -116.25 121.7 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.919 -0.582 . . . . 99.99 109.826 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -135.74 158.86 43.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.251 -0.432 . . . . 99.99 110.094 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -85.15 139.89 31.35 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.578 -0.283 . . . . 99.99 110.271 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.26 -28.52 14.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.185 0.517 . . . . 99.99 109.839 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.91 156.34 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.769 -0.65 . . . . 99.99 110.37 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -79.41 97.81 6.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.837 0.351 . . . . 99.99 111.634 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.2 tt -108.29 115.25 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.163 0.506 . . . . 99.99 111.195 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 83.6 5.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.233 0.54 . . . . 99.99 110.263 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -123.76 137.63 29.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.659 -0.7 . . . . 99.99 109.804 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.74 -5.69 4.89 Favored 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 123.329 2.686 . . . . 10.0 113.941 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -121.09 18.35 11.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.935 0.398 . . . . 99.99 110.415 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.9 t -133.58 137.48 52.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.822 -0.627 . . . . 99.99 109.465 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.55 167.31 15.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.468 -0.333 . . . . 99.99 111.325 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.1 -29.19 67.18 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 113.232 0.826 . . . . 99.99 113.232 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -20.65 35.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.107 0.479 . . . . 99.99 110.422 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.1 17.39 10.19 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.889 -0.672 . . . . 99.99 112.257 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -88.19 152.3 22.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.597 0.237 . . . . 99.99 110.458 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.3 pt -135.15 -174.6 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 99.99 110.518 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -138.25 101.5 4.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.72 -0.673 . . . . 99.99 109.198 178.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.6 tp -112.65 111.78 51.5 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 121.169 0.509 . . . . 99.99 110.737 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.77 -27.56 53.03 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.33 2.687 . . . . 10.0 113.679 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.4 tt -68.73 -23.69 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.646 0.61 . . . . 99.99 112.646 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 24.2 pt -116.87 12.29 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.928 -0.309 . . . . 99.99 111.474 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.3 p -67.45 145.6 54.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 99.99 110.284 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 p -61.12 -17.68 54.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.295 0.48 . . . . 99.99 112.295 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -97.34 -7.0 32.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.027 0.38 . . . . 99.99 112.027 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -142.66 39.68 1.53 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 122.236 -0.29 . . . . 99.99 111.589 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -97.94 136.69 37.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.201 0.524 . . . . 99.99 112.128 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -136.19 125.42 15.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.5 -0.773 . . . . 99.99 109.575 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.57 -14.85 27.8 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.644 2.896 . . . . 10.0 114.221 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.16 -11.82 59.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.781 0.324 . . . . 99.99 111.398 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.5 m -82.1 134.79 35.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.318 -0.401 . . . . 99.99 110.812 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -103.34 167.62 9.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.899 -0.591 . . . . 99.99 110.37 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.8 m -59.87 -35.78 75.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 99.99 111.937 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -34.89 75.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.371 . . . . 99.99 111.556 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -75.87 -32.57 59.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.094 0.473 . . . . 99.99 110.361 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.39 -47.33 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 99.99 110.136 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.76 -29.96 71.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 99.99 110.451 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -64.32 -50.25 68.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.584 -0.734 . . . . 99.99 109.655 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.3 75.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 99.99 110.666 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.3 tp -62.91 -47.98 80.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 99.99 110.333 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -56.83 -35.51 68.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.136 -0.483 . . . . 99.99 110.898 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.5 t -62.67 -51.95 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.882 -0.599 . . . . 99.99 110.831 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.3 mt -67.61 -27.4 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.358 0.503 . . . . 99.99 112.358 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.26 -50.88 43.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.73 0.3 . . . . 99.99 110.419 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -77.06 -34.17 57.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.661 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -114.56 98.46 49.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.846 -0.428 . . . . 99.99 109.846 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.72 155.21 70.32 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.604 2.202 . . . . 10.0 112.472 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -100.34 119.3 38.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.917 -0.583 . . . . 99.99 109.755 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.8 pt -97.47 4.12 9.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.29 0.478 . . . . 99.99 112.29 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -107.22 -55.29 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.093 0.473 . . . . 99.99 109.805 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.25 74.84 15.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 99.99 110.157 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -96.37 179.01 0.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.071 2.514 . . . . 10.0 112.034 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.8 mp -106.26 -24.37 12.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.017 -0.538 . . . . 99.99 109.918 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -124.12 106.19 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.763 -0.653 . . . . 99.99 110.887 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 98.2 mtp -69.23 -28.87 66.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.518 . . . . 99.99 110.734 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -65.04 -50.66 65.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.918 -0.583 . . . . 99.99 111.343 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 mp -71.26 -35.72 71.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.765 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.83 -48.27 79.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.916 0.389 . . . . 99.99 110.475 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.02 -38.78 89.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 99.99 110.291 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 53.9 tp -58.08 -48.04 81.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.649 -0.705 . . . . 99.99 110.947 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.4 tp -65.86 -38.08 87.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.385 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.4 m -68.52 -32.25 72.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.158 -0.473 . . . . 99.99 111.686 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -88.03 -52.92 5.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.862 0.319 . . . . 99.99 111.862 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -136.29 98.06 11.57 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.743 0.306 . . . . 99.99 110.832 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.94 -35.7 65.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.84 2.36 . . . . 10.0 111.824 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -67.26 -43.66 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.388 -0.369 . . . . 99.99 111.152 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.6 tp -63.51 -41.49 98.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.604 -0.517 . . . . 99.99 109.604 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -65.82 -43.42 88.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 99.99 109.695 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -61.28 -47.25 86.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.623 -0.717 . . . . 99.99 110.553 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -43.35 96.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.4 . . . . 99.99 110.97 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -60.82 -47.45 86.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.848 -0.614 . . . . 99.99 110.737 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.05 66.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.898 -0.592 . . . . 99.99 111.233 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.52 -48.46 80.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.508 -0.314 . . . . 99.99 110.954 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -60.92 -45.94 92.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.346 -0.388 . . . . 99.99 110.075 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -59.45 -45.19 92.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.388 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 16.2 m -61.82 -40.29 94.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.117 0.484 . . . . 99.99 110.841 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.51 14.01 12.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.359 -0.382 . . . . 99.99 111.68 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -122.23 -50.8 2.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.979 0.418 . . . . 99.99 110.673 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -119.3 35.82 4.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.059 -0.518 . . . . 99.99 109.981 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -122.82 140.75 13.44 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.699 -0.763 . . . . 99.99 112.651 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.5 141.79 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.989 -0.374 . . . . 99.99 109.989 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -56.74 139.71 49.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.379 -0.373 . . . . 99.99 111.647 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 99.99 110.397 -179.804 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.836 0.351 . . . . 99.99 110.672 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -97.76 130.68 44.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.077 0.465 . . . . 99.99 111.75 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -121.46 164.15 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -116.89 127.64 54.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.865 0.364 . . . . 99.99 111.158 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.98 115.44 49.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.916 -0.772 . . . . 99.99 108.916 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -107.26 133.03 52.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.771 0.319 . . . . 99.99 111.032 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 20.5 p -89.62 -171.83 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.987 -0.551 . . . . 99.99 110.245 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 78.8 mt -81.07 -17.69 49.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.125 0.417 . . . . 99.99 112.125 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 16.6 p -94.73 1.94 55.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 99.99 111.814 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.5 -15.79 61.56 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.609 -0.805 . . . . 99.99 112.759 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.446 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 60.3 tttm -60.5 113.12 2.26 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.81 -0.441 . . . . 99.99 109.81 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -110.42 121.24 44.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.055 -0.52 . . . . 99.99 110.839 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.2 pt -110.49 148.62 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.052 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.37 148.72 22.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.159 -0.473 . . . . 99.99 109.879 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 tp -144.1 127.75 17.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.957 0.408 . . . . 99.99 111.159 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -96.49 108.6 21.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.807 -0.633 . . . . 99.99 109.49 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -135.92 -175.99 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 99.99 110.704 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.35 157.11 78.2 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.235 -1.024 . . . . 99.99 108.235 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.6 -35.37 67.16 Favored 'Trans proline' 0 N--CA 1.474 0.339 0 C-N-CA 122.571 2.181 . . . . 10.0 113.161 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -75.1 -0.16 18.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.799 0.666 . . . . 99.99 112.799 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.72 129.05 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.944 0.402 . . . . 99.99 111.416 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.66 145.51 36.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.059 -0.719 . . . . 99.99 109.059 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 mm -54.83 -38.08 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 99.99 111.793 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -34.76 75.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.869 0.366 . . . . 99.99 110.832 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.81 -36.92 70.41 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.152 -0.684 . . . . 99.99 109.152 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.57 -43.08 96.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.462 -0.79 . . . . 99.99 109.293 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.428 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 92.4 mttt -59.7 -40.2 87.13 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.935 -0.575 . . . . 99.99 110.608 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.86 92.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 99.99 110.143 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.48 -35.6 80.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 99.99 110.786 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.48 -41.06 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.538 -0.541 . . . . 99.99 109.538 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.44 -30.11 68.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 99.99 110.339 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.59 -40.81 84.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.923 -0.58 . . . . 99.99 111.46 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -93.69 -45.66 7.6 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.337 0.866 . . . . 99.99 113.337 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.446 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 28.5 mm-40 -85.01 -63.76 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 99.99 111.378 -179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.64 -13.73 6.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.666 -0.778 . . . . 99.99 112.354 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 mt -59.75 121.35 57.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 122.306 0.242 . . . . 99.99 110.823 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -59.37 139.58 90.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.906 2.404 . . . . 10.0 111.585 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -54.62 -28.99 58.65 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.366 2.711 . . . . 10.0 112.986 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.83 -26.6 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.082 0.468 . . . . 99.99 110.73 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -101.68 9.59 40.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.008 -0.542 . . . . 99.99 111.074 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -99.89 109.83 22.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.302 -0.408 . . . . 99.99 111.17 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -111.29 92.08 3.9 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.779 -0.452 . . . . 99.99 109.779 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 mt -81.3 121.62 26.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.843 -0.617 . . . . 99.99 112.051 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.3 mm -116.38 125.05 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.674 -0.693 . . . . 99.99 110.16 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -139.74 131.95 28.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.266 -0.425 . . . . 99.99 109.953 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.59 31.6 21.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.052 -0.522 . . . . 99.99 111.516 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.51 7.19 85.29 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.801 -0.636 . . . . 99.99 113.246 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -121.84 153.55 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 99.99 111.179 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -87.41 128.13 35.21 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.296 -0.631 . . . . 99.99 109.296 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt -75.41 115.94 15.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.389 -0.369 . . . . 99.99 111.196 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.83 132.38 41.49 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.133 -0.485 . . . . 99.99 111.246 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.428 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 3.6 m-20 -52.62 -40.48 62.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.765 -0.652 . . . . 99.99 112.618 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.79 -4.21 85.03 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.892 -0.67 . . . . 99.99 114.648 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.87 167.35 10.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.51 0.655 . . . . 99.99 111.475 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -106.83 172.63 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.011 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.29 -39.9 86.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.292 -0.413 . . . . 99.99 111.217 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -24.93 67.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.75 0.309 . . . . 99.99 111.572 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -63.65 -30.69 71.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.2 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -109.23 11.78 25.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 99.99 110.761 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 61.91 39.87 13.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.536 0.684 . . . . 99.99 110.927 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.2 mt -87.35 104.33 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.825 -0.625 . . . . 99.99 109.814 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -105.0 -171.23 1.88 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.882 -0.599 . . . . 99.99 109.953 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -70.48 161.09 31.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.491 0.186 . . . . 99.99 110.99 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 70.65 5.74 5.54 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.691 0.626 . . . . 99.99 112.691 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -84.6 149.66 25.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.722 0.296 . . . . 99.99 110.617 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.6 m -114.39 122.16 45.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.992 0.425 . . . . 99.99 110.827 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 46.2 mt -99.24 145.38 27.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.04 -0.527 . . . . 99.99 109.931 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -99.1 119.45 37.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 99.99 109.795 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.4 tp -100.82 105.37 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.198 0.523 . . . . 99.99 111.597 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.8 t -91.84 127.18 44.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.662 -0.699 . . . . 99.99 109.434 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 54.5 tp -75.64 109.52 9.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 99.99 110.835 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.034 0.445 . . . . 99.99 110.773 -179.795 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.563 0.209 . . . . 99.99 111.563 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -58.8 -38.11 77.83 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.695 0.628 . . . . 99.99 112.695 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -47.52 72.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.454 -0.339 . . . . 99.99 111.362 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -69.97 -39.34 76.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.581 -0.281 . . . . 99.99 111.039 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 83.9 t -56.88 -47.66 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.993 0.425 . . . . 99.99 110.57 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.35 -42.14 92.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.078 -0.51 . . . . 99.99 110.55 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -42.98 94.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 99.99 110.727 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.33 -37.72 88.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.344 -0.389 . . . . 99.99 110.461 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.73 -48.75 79.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.512 -0.551 . . . . 99.99 109.512 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' CD ' ' HZ1' ' A' ' 15' ' ' LYS . 1.4 tm-20 -64.08 -32.48 74.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 99.99 110.523 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.37 -47.66 78.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.934 -0.575 . . . . 99.99 110.489 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.4 mt -76.73 -33.97 58.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.561 -0.745 . . . . 99.99 112.595 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -69.62 -22.96 63.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.93 0.344 . . . . 99.99 111.93 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HZ1' ' CD ' ' A' ' 11' ' ' GLU . 5.3 mmtp -75.97 -31.56 59.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.503 -0.317 . . . . 99.99 110.808 179.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -154.47 83.69 4.03 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.155 -0.475 . . . . 99.99 110.164 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -77.54 147.31 25.1 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.124 2.549 . . . . 10.0 112.538 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -62.25 147.89 94.19 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.756 2.304 . . . . 10.0 111.019 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.28 -25.27 64.16 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 123.042 2.495 . . . . 10.0 113.247 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -95.91 6.07 49.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.076 0.399 . . . . 99.99 112.076 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.4 tp -133.49 117.75 17.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.743 0.306 . . . . 99.99 110.938 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -132.16 166.32 22.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.486 -0.325 . . . . 99.99 110.879 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 61.33 40.36 14.37 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.549 0.53 . . . . 99.99 111.57 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.0 tp -86.55 107.82 18.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.085 0.469 . . . . 99.99 110.81 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -146.4 157.52 43.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 99.99 110.42 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -79.6 162.07 25.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.951 -0.388 . . . . 99.99 109.951 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.0 150.54 48.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.095 0.474 . . . . 99.99 110.834 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.1 -27.23 68.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.584 -0.734 . . . . 99.99 111.991 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.97 -1.27 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.125 0.787 . . . . 99.99 113.125 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -146.09 124.43 12.31 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.653 -0.419 . . . . 99.99 111.897 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.9 -16.27 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.063 0.458 . . . . 99.99 110.694 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.6 mt -86.76 1.71 51.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 99.99 111.168 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.0 t -123.24 109.92 24.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.704 -0.48 . . . . 99.99 109.704 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -98.82 147.66 24.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.024 0.44 . . . . 99.99 111.073 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -127.89 128.96 46.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.07 164.22 37.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 99.99 111.487 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.2 mt -109.16 117.78 35.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 99.99 110.723 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.3 tp -86.2 134.44 33.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.406 -0.59 . . . . 99.99 109.406 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.6 86.92 30.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.417 -0.356 . . . . 99.99 111.255 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.3 137.19 30.56 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.507 2.138 . . . . 10.0 110.253 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.28 -19.35 24.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.963 0.411 . . . . 99.99 111.693 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -71.62 134.82 83.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.284 -0.417 . . . . 99.99 111.366 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -69.12 145.9 62.4 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.526 2.151 . . . . 10.0 110.904 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -96.39 13.17 39.08 Favored 'Cis proline' 0 N--CA 1.459 -0.557 0 C-N-CA 123.623 -1.407 . . . . 10.0 111.915 -0.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -65.14 -13.91 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 99.99 111.885 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -3.93 35.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 99.99 111.781 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -79.07 -35.29 42.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.968 0.358 . . . . 99.99 111.968 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -134.87 -167.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.522 -0.308 . . . . 99.99 110.868 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.55 160.18 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 99.99 109.223 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.51 127.71 46.87 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.028 -0.269 . . . . 99.99 111.115 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -80.75 130.32 35.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.373 -0.376 . . . . 99.99 110.2 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp -120.13 154.82 34.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.237 -0.438 . . . . 99.99 110.736 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 121.51 35.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 99.99 110.428 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.9 mt -101.65 114.32 40.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.943 -0.571 . . . . 99.99 109.658 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.37 114.23 28.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.814 0.34 . . . . 99.99 110.923 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -92.01 125.78 55.64 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.273 -0.422 . . . . 99.99 110.89 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -74.89 151.6 40.29 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.78 2.32 . . . . 10.0 111.1 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.24 -17.83 59.09 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.647 2.231 . . . . 10.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.1 6.59 45.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 99.99 111.455 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -54.91 139.82 61.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 110.306 -0.257 . . . . 99.99 110.306 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -94.92 23.91 25.65 Favored 'Cis proline' 0 C--N 1.348 0.531 0 C-N-CA 124.076 -1.218 . . . . 10.0 113.666 0.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -76.28 -15.73 59.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.583 0.706 . . . . 99.99 109.705 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.82 132.09 24.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.083 -0.962 . . . . 99.99 108.985 178.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.83 139.38 74.14 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.972 2.448 . . . . 10.0 112.855 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.45 125.96 14.78 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.858 2.372 . . . . 10.0 111.171 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.3 mtm -83.87 91.73 7.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 99.99 110.837 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.4 mt -97.98 127.24 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.722 -0.672 . . . . 99.99 110.121 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -140.42 160.31 40.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.933 -0.395 . . . . 99.99 109.933 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -84.47 137.09 33.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.431 -0.349 . . . . 99.99 110.775 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -35.57 16.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.098 -0.704 . . . . 99.99 109.098 178.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.26 165.69 13.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.494 -0.775 . . . . 99.99 109.57 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -90.43 112.19 23.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.011 0.434 . . . . 99.99 111.691 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.0 tt -113.3 116.6 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.118 -0.492 . . . . 99.99 110.831 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -77.53 87.84 3.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 99.99 110.458 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -132.23 134.95 25.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.02 -0.537 . . . . 99.99 109.916 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.42 -12.59 14.09 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.326 2.684 . . . . 10.0 114.127 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -114.34 19.96 15.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.865 0.364 . . . . 99.99 110.785 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -137.15 141.48 40.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.833 -0.802 . . . . 99.99 108.833 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.61 171.34 8.73 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.271 -0.172 . . . . 99.99 110.547 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.17 -29.43 67.44 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.727 0.64 . . . . 99.99 112.727 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -76.89 -42.18 40.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 99.99 109.866 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.82 22.6 1.58 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.902 -0.666 . . . . 99.99 112.508 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -80.36 151.02 29.65 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.711 0.291 . . . . 99.99 110.671 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.53 129.39 21.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 99.99 110.866 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.4 m -84.0 74.69 10.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 99.99 110.826 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.5 mt -89.49 117.18 67.94 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.726 -0.67 . . . . 99.99 110.219 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -58.59 -29.35 88.82 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 122.603 2.202 . . . . 10.0 112.05 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.3 tt -67.55 -26.57 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.517 0.562 . . . . 99.99 112.517 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 46.3 pt -104.56 1.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 122.155 -0.341 . . . . 99.99 111.617 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.5 p -72.28 140.48 48.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.659 -0.497 . . . . 99.99 109.659 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -20.41 38.13 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.429 0.529 . . . . 99.99 112.429 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -87.69 -7.9 56.8 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.377 0.51 . . . . 99.99 112.377 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -138.81 12.09 2.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.923 0.342 . . . . 99.99 111.923 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -81.38 128.34 33.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.256 0.55 . . . . 99.99 111.972 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -124.95 123.17 25.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.307 -0.861 . . . . 99.99 108.814 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -58.66 -17.52 35.84 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.227 2.618 . . . . 10.0 113.368 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -13.91 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.357 . . . . 99.99 111.678 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.24 137.65 35.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.458 -0.337 . . . . 99.99 110.794 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -98.76 162.9 12.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.37 . . . . 99.99 110.5 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.6 m -58.22 -34.07 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 99.99 112.138 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -31.59 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 99.99 111.604 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -79.26 -30.61 43.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.064 0.459 . . . . 99.99 110.313 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.0 t -70.08 -46.66 71.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.815 -0.63 . . . . 99.99 110.396 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.13 -28.59 69.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.943 -0.571 . . . . 99.99 110.693 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -68.41 -44.63 74.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.949 -0.569 . . . . 99.99 109.952 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.24 83.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.77 -0.65 . . . . 99.99 110.304 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.9 tp -62.14 -44.43 96.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.791 -0.641 . . . . 99.99 110.731 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -56.97 -37.32 71.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.053 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.4 t -65.33 -45.04 94.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 99.99 110.506 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.31 -35.48 81.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 99.99 111.298 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.11 -47.2 62.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.49 -0.323 . . . . 99.99 111.199 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -72.68 -35.85 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 99.99 111.817 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -119.68 98.75 49.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.759 0.314 . . . . 99.99 110.186 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -66.73 118.89 5.9 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.677 2.252 . . . . 10.0 111.944 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -70.1 103.75 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.987 -0.552 . . . . 99.99 109.834 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 20.5 pt -81.15 -3.74 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 99.99 112.009 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -79.68 -59.43 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.226 -0.657 . . . . 99.99 109.226 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -121.72 85.22 44.14 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.495 -0.775 . . . . 99.99 109.716 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -90.54 173.81 3.06 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.844 2.362 . . . . 10.0 111.45 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.4 mp -98.7 -24.28 15.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.076 0.465 . . . . 99.99 110.142 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -132.95 106.82 7.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.777 -0.647 . . . . 99.99 110.151 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -62.43 -30.8 71.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.974 -0.557 . . . . 99.99 111.583 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -68.92 -34.93 76.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 99.99 111.421 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.21 -40.9 23.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.522 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.48 93.7 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.967 -0.56 . . . . 99.99 110.622 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.69 -56.1 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 99.99 110.186 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 44.2 tp -55.95 -40.27 72.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 99.99 111.61 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 35.5 tp -62.06 -34.89 77.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 99.99 111.651 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 -31.07 18.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.881 0.372 . . . . 99.99 111.423 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -72.37 -53.12 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.03 0.443 . . . . 99.99 110.526 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -144.05 92.97 6.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.641 . . . . 99.99 110.145 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.79 -32.74 97.7 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 123.011 2.474 . . . . 10.0 112.187 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -68.35 -46.94 68.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.424 -0.353 . . . . 99.99 111.16 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.08 -42.72 99.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.943 0.402 . . . . 99.99 110.207 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -66.87 -41.48 87.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.779 -0.646 . . . . 99.99 109.951 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 48.7 ttp85 -57.75 -38.65 75.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.799 -0.637 . . . . 99.99 111.075 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -62.12 -50.42 71.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.857 0.36 . . . . 99.99 111.178 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.91 -41.38 95.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 99.99 110.818 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.81 -34.51 76.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.092 -0.504 . . . . 99.99 111.144 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -63.6 -49.89 71.57 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.373 -0.376 . . . . 99.99 110.197 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.67 -41.77 95.74 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.922 -0.581 . . . . 99.99 109.808 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -42.22 91.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 99.99 110.877 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.3 m -64.68 -37.45 87.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.182 0.515 . . . . 99.99 110.113 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 81.3 mt -93.2 25.68 3.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.56 . . . . 99.99 110.459 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -136.68 -39.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 99.99 110.931 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -128.76 34.96 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 99.99 110.554 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -119.0 150.38 17.96 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.603 -0.808 . . . . 99.99 112.157 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 25.8 t -81.11 143.78 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.443 -0.577 . . . . 99.99 109.443 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -56.67 128.69 37.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.908 0.385 . . . . 99.99 111.516 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.606 -0.725 . . . . 99.99 111.04 -179.477 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.799 0.333 . . . . 99.99 110.532 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -98.88 130.29 45.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.852 0.358 . . . . 99.99 111.904 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -121.88 166.93 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.897 -0.592 . . . . 99.99 109.641 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -119.34 122.76 42.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.631 -0.258 . . . . 99.99 110.986 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.3 t -109.48 117.76 55.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.302 -0.629 . . . . 99.99 109.302 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -109.9 126.96 54.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.185 0.517 . . . . 99.99 111.417 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.8 p -92.73 166.9 12.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.515 -0.766 . . . . 99.99 110.111 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.5 mt -76.08 5.67 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 99.99 111.364 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.84 8.4 34.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 99.99 110.779 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.27 20.01 79.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.939 -0.648 . . . . 99.99 112.256 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -105.01 118.21 35.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.83 -0.433 . . . . 99.99 109.83 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.97 126.01 51.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.98 -0.555 . . . . 99.99 110.302 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.6 pt -121.39 140.19 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.295 -0.411 . . . . 99.99 110.975 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.76 143.11 26.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.945 -0.571 . . . . 99.99 109.959 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.55 145.27 49.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.842 0.354 . . . . 99.99 111.275 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -104.47 98.49 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 99.99 110.119 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -128.51 169.34 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 99.99 110.36 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -116.97 157.17 47.16 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 109.649 -0.5 . . . . 99.99 109.649 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -58.44 -20.83 50.73 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.696 2.264 . . . . 10.0 113.007 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.87 10.68 38.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.395 -0.366 . . . . 99.99 111.883 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -82.09 151.3 27.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.711 0.291 . . . . 99.99 111.107 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.79 148.58 21.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.104 -0.498 . . . . 99.99 110.484 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.7 mm -59.73 -38.82 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.579 -0.282 . . . . 99.99 111.494 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.58 -34.03 73.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.332 0.587 . . . . 99.99 110.321 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -75.26 -38.79 60.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.794 -0.639 . . . . 99.99 110.049 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.3 t -60.92 -43.02 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.965 -0.561 . . . . 99.99 109.775 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.502 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 91.2 mttt -58.53 -42.13 87.1 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.899 -0.591 . . . . 99.99 110.484 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.27 90.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.665 -0.698 . . . . 99.99 110.146 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.29 -31.04 71.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.901 -0.59 . . . . 99.99 110.746 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.5 mt -72.14 -44.23 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.944 -0.762 . . . . 99.99 108.944 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -64.23 -31.44 72.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.837 -0.62 . . . . 99.99 110.062 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.13 -37.17 76.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.663 -0.699 . . . . 99.99 111.909 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -104.74 -34.19 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.547 0.943 . . . . 99.99 113.547 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -91.55 -33.52 15.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.302 0.853 . . . . 99.99 113.302 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.06 1.22 70.21 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.571 -0.823 . . . . 99.99 112.721 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -84.14 119.84 73.84 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 122.769 -0.254 . . . . 99.99 110.609 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -58.01 135.92 71.74 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.108 2.538 . . . . 10.0 112.565 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -54.95 -29.76 65.88 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.655 2.904 . . . . 10.0 113.495 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.7 -22.8 65.25 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.235 0.541 . . . . 99.99 110.855 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -102.29 7.85 40.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.897 -0.592 . . . . 99.99 110.244 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -100.66 109.33 21.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.015 -0.539 . . . . 99.99 111.806 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -106.09 90.98 3.53 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.297 -0.631 . . . . 99.99 109.297 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 29.2 mt -79.71 121.73 25.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.775 -0.648 . . . . 99.99 111.605 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.1 130.9 70.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.801 -0.636 . . . . 99.99 110.509 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -143.18 127.45 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.65 -0.5 . . . . 99.99 109.65 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 29.2 18.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.071 0.462 . . . . 99.99 111.372 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.21 -0.07 84.9 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.731 -0.668 . . . . 99.99 112.953 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -112.12 158.25 19.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.902 0.351 . . . . 99.99 110.72 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -90.72 134.76 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.574 -0.528 . . . . 99.99 109.574 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 69.1 mt -80.49 116.61 20.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.838 0.351 . . . . 99.99 111.55 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -77.44 129.63 35.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.06 -0.518 . . . . 99.99 110.264 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.502 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 5.1 m-20 -49.86 -45.27 50.26 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.442 0.904 . . . . 99.99 113.442 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.27 -9.77 81.27 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 121.016 -0.612 . . . . 99.99 113.765 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -86.88 162.9 17.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.034 0.445 . . . . 99.99 111.269 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 9.1 p -108.9 166.61 10.69 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.769 -0.651 . . . . 99.99 110.5 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.54 -27.3 69.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 99.99 111.169 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -14.7 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 99.99 111.531 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -73.04 -38.56 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.123 0.487 . . . . 99.99 110.556 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -98.48 2.9 48.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.704 -0.68 . . . . 99.99 110.703 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.24 44.59 7.49 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.748 0.655 . . . . 99.99 110.807 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 52.8 mt -85.24 112.87 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 99.99 110.576 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -94.79 -172.96 2.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.997 -0.547 . . . . 99.99 109.859 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -76.67 161.79 28.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.171 -0.307 . . . . 99.99 110.171 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 72.85 -7.41 1.47 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.733 0.642 . . . . 99.99 112.733 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.2 m -65.26 140.0 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.841 0.353 . . . . 99.99 111.176 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -103.88 120.08 40.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.023 -0.535 . . . . 99.99 110.415 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 33.0 mt -99.67 150.52 22.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.901 -0.591 . . . . 99.99 110.261 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.58 122.18 43.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.815 -0.439 . . . . 99.99 109.815 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.2 tp -106.93 112.49 25.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.051 0.453 . . . . 99.99 111.998 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 26.1 t -97.28 134.64 34.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.689 -0.687 . . . . 99.99 109.152 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 tp -88.22 115.1 25.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.816 0.341 . . . . 99.99 111.065 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.269 -0.423 . . . . 99.99 109.919 179.354 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.737 0.303 . . . . 99.99 111.27 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -34.97 71.57 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.421 0.526 . . . . 99.99 112.421 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.9 ttm -55.51 -45.4 77.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.394 -0.367 . . . . 99.99 111.594 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -71.02 -38.54 72.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.587 -0.279 . . . . 99.99 111.019 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.9 -44.66 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 99.99 110.779 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.08 -39.6 84.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 99.99 110.08 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -64.79 -46.81 80.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 99.99 110.631 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.32 -37.98 89.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 99.99 110.437 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.6 tp -66.01 -42.35 89.83 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.409 -0.589 . . . . 99.99 109.409 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -48.18 82.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.736 -0.665 . . . . 99.99 110.801 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.39 -51.33 70.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.72 -0.673 . . . . 99.99 111.013 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.4 mt -68.12 -24.63 65.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.919 -0.582 . . . . 99.99 112.318 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -76.71 -28.87 56.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 99.99 110.158 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -82.67 -34.39 27.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.886 -0.597 . . . . 99.99 110.014 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -129.21 75.66 79.93 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.82 -0.627 . . . . 99.99 110.002 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.16 130.15 10.95 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.546 2.164 . . . . 10.0 112.278 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.07 147.52 73.62 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.294 1.996 . . . . 10.0 111.23 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.97 -22.75 70.31 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 123.006 2.471 . . . . 10.0 113.393 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -92.59 6.89 45.62 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.353 0.501 . . . . 99.99 112.353 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.5 tp -134.43 122.27 22.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.817 0.342 . . . . 99.99 110.56 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -124.81 161.67 25.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.266 -0.424 . . . . 99.99 110.895 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 53.48 45.75 27.62 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.778 0.674 . . . . 99.99 111.932 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -79.95 100.1 7.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 99.99 110.495 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -136.78 172.06 13.57 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.9 -0.591 . . . . 99.99 109.973 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.13 173.02 10.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.756 -0.461 . . . . 99.99 109.756 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -71.8 158.26 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.146 -0.316 . . . . 99.99 110.146 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -60.59 -38.71 85.55 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.51 0.559 . . . . 99.99 112.51 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.97 20.36 3.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.592 0.59 . . . . 99.99 112.592 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -142.11 130.04 21.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.934 0.397 . . . . 99.99 111.239 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.22 -14.68 9.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.251 0.548 . . . . 99.99 110.324 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.24 21.34 10.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.104 -0.498 . . . . 99.99 111.122 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.8 t -137.78 129.0 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.935 -0.394 . . . . 99.99 109.935 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -105.13 150.51 24.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.046 0.45 . . . . 99.99 111.438 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -124.11 124.62 42.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.957 -1.127 . . . . 99.99 107.957 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.33 152.52 29.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.371 0.508 . . . . 99.99 112.371 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.6 mt -106.97 114.6 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.454 -0.794 . . . . 99.99 109.121 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 tp -82.37 131.15 35.23 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.051 -0.352 . . . . 99.99 110.051 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mp -115.06 90.36 23.14 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.175 -0.466 . . . . 99.99 110.882 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.1 157.54 57.36 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.484 2.123 . . . . 10.0 110.481 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -107.0 -24.84 11.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.11 0.481 . . . . 99.99 110.665 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -62.14 128.74 91.37 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.697 -0.683 . . . . 99.99 111.559 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.54 141.59 42.45 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.053 2.502 . . . . 10.0 111.109 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -99.18 17.69 26.14 Favored 'Cis proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.839 -1.317 . . . . 10.0 112.322 -0.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -60.94 -29.29 69.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 99.99 111.496 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -0.29 6.85 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.083 0.772 . . . . 99.99 113.083 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.51 -13.46 54.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.752 0.31 . . . . 99.99 110.746 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -144.92 -168.39 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 99.99 110.764 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -132.18 151.77 51.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.983 -0.553 . . . . 99.99 109.667 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -124.73 120.27 31.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.79 0.328 . . . . 99.99 111.257 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -80.67 135.28 36.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.288 -0.414 . . . . 99.99 110.423 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -123.57 150.38 44.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 99.99 110.407 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -119.41 115.36 23.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.145 -0.48 . . . . 99.99 110.085 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.5 mt -95.7 120.03 44.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.879 -0.601 . . . . 99.99 110.24 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -105.41 114.88 29.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.243 -0.435 . . . . 99.99 110.253 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -89.77 127.9 52.4 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.169 -0.469 . . . . 99.99 110.898 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.24 150.67 59.61 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.375 2.05 . . . . 10.0 110.99 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.55 -16.43 53.78 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.572 2.181 . . . . 10.0 111.749 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -97.58 17.31 18.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.24 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -63.34 141.67 97.82 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 109.861 -0.422 . . . . 99.99 109.861 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -98.01 24.3 21.69 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 124.261 -1.141 . . . . 10.0 113.061 0.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -77.08 -9.6 58.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 99.99 109.379 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.8 141.46 41.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 114.761 -1.109 . . . . 99.99 109.024 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.62 141.74 42.45 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.746 2.297 . . . . 10.0 113.086 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.78 137.52 16.07 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.557 2.171 . . . . 10.0 111.185 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 71.7 mtm -93.58 117.72 30.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 99.99 110.874 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.4 mt -111.9 125.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.354 -0.384 . . . . 99.99 110.231 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -131.36 152.98 50.11 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.031 -0.359 . . . . 99.99 110.031 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -85.14 133.22 34.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.49 -0.323 . . . . 99.99 110.51 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.13 -13.41 28.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.709 0.766 . . . . 99.99 109.342 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 m -106.69 140.71 39.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.133 -0.94 . . . . 99.99 109.93 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -70.07 106.46 3.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.451 -0.34 . . . . 99.99 110.561 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.1 tt -111.79 128.67 68.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.124 -0.489 . . . . 99.99 111.064 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -86.99 77.99 9.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.946 -0.57 . . . . 99.99 109.971 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -123.53 134.23 25.11 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 99.99 110.219 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -61.43 -15.83 43.47 Favored 'Trans proline' 0 N--CA 1.479 0.647 0 C-N-CA 123.307 2.671 . . . . 10.0 113.68 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -111.96 24.93 12.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.809 0.338 . . . . 99.99 110.864 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.8 t -136.25 138.66 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.711 -0.478 . . . . 99.99 109.711 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -79.66 158.14 27.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.106 -0.497 . . . . 99.99 110.045 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.39 -31.65 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.72 0.637 . . . . 99.99 112.72 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -80.78 -4.99 56.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.88 0.326 . . . . 99.99 111.88 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.86 13.57 49.58 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.527 -0.844 . . . . 99.99 111.965 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -83.47 142.41 30.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.761 -0.459 . . . . 99.99 109.761 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.3 pt -119.61 -178.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.309 -0.405 . . . . 99.99 110.895 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.3 m -137.51 92.81 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.692 -0.685 . . . . 99.99 109.383 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mp -106.15 113.41 63.52 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.139 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.71 -28.54 76.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.901 2.401 . . . . 10.0 112.196 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.3 tt -66.04 -26.27 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.168 0.433 . . . . 99.99 112.168 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.5 pt -111.74 19.64 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 99.99 111.263 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.2 p -77.68 149.41 34.66 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.547 -0.538 . . . . 99.99 109.547 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -6.71 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.507 0.558 . . . . 99.99 112.507 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -111.32 -7.8 14.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.845 0.313 . . . . 99.99 111.845 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -136.04 20.76 3.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.447 0.536 . . . . 99.99 112.447 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -83.28 136.28 34.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.977 0.418 . . . . 99.99 111.61 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -123.4 123.28 26.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.746 -0.835 . . . . 99.99 108.746 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.53 -16.87 50.64 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.913 2.409 . . . . 10.0 113.125 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 p -84.32 -8.85 58.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.464 -0.334 . . . . 99.99 111.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -73.9 136.61 43.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.102 0.477 . . . . 99.99 111.592 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -99.22 151.73 20.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.637 -0.875 . . . . 99.99 108.637 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 m -58.05 -26.42 62.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.814 0.34 . . . . 99.99 111.763 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.06 -29.25 70.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.089 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -79.99 -36.63 35.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.99 0.424 . . . . 99.99 109.923 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 22.7 t -63.98 -45.29 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.695 -0.684 . . . . 99.99 110.167 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.92 -36.5 81.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.776 -0.647 . . . . 99.99 110.76 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.64 -49.06 70.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.952 -0.567 . . . . 99.99 110.257 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.84 -37.64 76.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 99.99 110.226 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.45 -49.37 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.735 -0.666 . . . . 99.99 110.746 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -56.76 -43.13 80.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.323 -0.399 . . . . 99.99 111.032 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.11 -44.09 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 99.99 110.751 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.38 -26.19 64.53 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.054 0.39 . . . . 99.99 112.054 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.7 t -75.64 -45.27 39.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.837 0.351 . . . . 99.99 110.169 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -75.12 -33.84 61.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 99.99 111.331 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -116.7 98.06 51.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.551 -0.537 . . . . 99.99 109.551 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.09 119.18 6.19 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.742 2.295 . . . . 10.0 112.485 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -75.34 110.69 9.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.931 -0.577 . . . . 99.99 109.968 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.7 pt -83.07 -7.28 10.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 99.99 112.412 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -86.69 -38.4 17.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.204 0.526 . . . . 99.99 110.156 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -119.3 81.45 22.05 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.776 -0.647 . . . . 99.99 109.527 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -93.41 129.35 0.71 Allowed 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.861 2.374 . . . . 10.0 112.451 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.8 mp -78.72 -24.89 44.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.507 0.67 . . . . 99.99 109.24 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -129.12 100.21 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.194 -0.912 . . . . 99.99 110.396 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -63.04 -26.39 68.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.022 -0.536 . . . . 99.99 110.913 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -70.91 -33.47 70.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.32 -0.4 . . . . 99.99 111.321 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.1 mp -88.79 -44.98 10.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.921 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.37 90.18 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.987 0.422 . . . . 99.99 111.287 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.06 -42.79 89.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.891 -0.595 . . . . 99.99 110.389 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 19.1 tp -58.57 -44.32 89.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 99.99 111.271 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.89 -32.78 73.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.047 -0.524 . . . . 99.99 110.84 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.0 m -80.46 -31.67 37.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.977 -0.556 . . . . 99.99 110.903 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -70.02 -54.04 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.365 -0.38 . . . . 99.99 110.597 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -146.67 105.6 3.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.191 -0.459 . . . . 99.99 110.413 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -58.08 -43.08 51.1 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.976 2.451 . . . . 10.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -64.81 -43.6 92.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.492 -0.322 . . . . 99.99 110.672 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.15 -46.34 88.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 99.99 110.092 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -65.4 -41.34 93.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.935 -0.575 . . . . 99.99 110.016 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -59.3 -44.05 92.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 99.99 110.695 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -60.44 -49.46 77.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 99.99 110.716 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -65.55 -35.46 80.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.832 -0.622 . . . . 99.99 110.891 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.53 80.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 99.99 110.551 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.36 -32.68 72.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 99.99 110.549 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -61.26 2.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.752 -0.658 . . . . 99.99 109.897 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -63.15 -38.63 91.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.933 -0.576 . . . . 99.99 112.485 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 33.4 m -59.56 -48.17 82.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.874 0.324 . . . . 99.99 111.874 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 30.1 mt -88.16 16.4 6.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.705 0.288 . . . . 99.99 111.36 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -122.04 -56.07 1.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.447 -0.342 . . . . 99.99 111.868 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -106.96 -2.22 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.047 0.388 . . . . 99.99 112.047 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -85.93 153.81 27.29 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.431 -0.89 . . . . 99.99 112.371 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 18.5 t -80.39 149.93 5.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 107.848 -1.167 . . . . 99.99 107.848 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -62.55 159.83 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.232 0.456 . . . . 99.99 112.232 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.851 -0.613 . . . . 99.99 111.092 -178.672 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.134 -0.321 . . . . 99.99 110.134 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -93.46 123.32 36.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.093 0.473 . . . . 99.99 111.971 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -127.91 175.95 8.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.129 -0.693 . . . . 99.99 109.129 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -129.46 140.3 51.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.906 0.384 . . . . 99.99 111.422 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -119.69 116.02 49.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.109 -0.701 . . . . 99.99 109.109 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -102.63 128.3 49.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.48 -0.327 . . . . 99.99 111.487 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.7 p -88.03 169.39 12.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.895 -0.593 . . . . 99.99 110.273 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.42 -31.18 70.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.394 -0.366 . . . . 99.99 111.929 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -26.67 61.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 99.99 111.445 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.04 -10.31 13.62 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.905 -0.664 . . . . 99.99 111.598 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -65.35 106.73 1.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.562 -0.532 . . . . 99.99 109.562 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -97.47 111.62 23.8 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.937 -0.574 . . . . 99.99 110.236 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 pt -98.57 148.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.93 0.395 . . . . 99.99 111.315 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -88.31 139.6 30.33 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.675 -0.693 . . . . 99.99 109.391 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.6 tp -137.34 130.68 31.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.663 0.268 . . . . 99.99 110.602 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -113.09 98.14 6.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.163 0.506 . . . . 99.99 111.165 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -133.21 160.09 42.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.429 -0.805 . . . . 99.99 109.567 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -95.35 158.66 34.3 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 110.515 -0.179 . . . . 99.99 110.515 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -61.53 -17.45 54.02 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.888 2.392 . . . . 10.0 112.598 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.78 1.69 54.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.209 -0.451 . . . . 99.99 111.312 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -77.78 154.88 31.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.892 0.377 . . . . 99.99 111.463 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -96.64 144.72 26.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.741 -0.663 . . . . 99.99 109.911 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.52 -40.33 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.792 0.293 . . . . 99.99 111.792 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -36.16 81.75 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.975 0.417 . . . . 99.99 110.714 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -69.85 -36.37 75.48 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.386 -0.598 . . . . 99.99 109.386 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.9 t -62.39 -42.55 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 99.99 109.516 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.94 -39.34 85.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.658 -0.701 . . . . 99.99 110.806 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.8 -31.8 72.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.516 . . . . 99.99 110.844 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.87 -36.67 62.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 99.99 110.622 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.45 -32.36 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.135 -1.061 . . . . 99.99 108.135 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -67.76 -22.44 65.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.813 -1.085 . . . . 99.99 109.811 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.72 -54.18 6.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.818 -0.628 . . . . 99.99 111.359 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -73.54 -38.0 65.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.345 0.868 . . . . 99.99 113.345 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -96.32 -62.91 1.2 Allowed 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.919 -0.312 . . . . 99.99 111.359 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.93 -5.08 9.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.803 -0.713 . . . . 99.99 112.088 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.2 mt -70.45 124.2 90.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 C-N-CA 122.113 0.165 . . . . 99.99 110.598 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.46 138.12 79.41 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 123.074 2.516 . . . . 10.0 111.949 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.92 -31.67 82.55 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.592 2.861 . . . . 10.0 113.339 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.81 -23.77 64.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.14 0.495 . . . . 99.99 111.126 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -96.78 4.02 51.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 99.99 110.651 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.04 117.79 33.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.895 -0.593 . . . . 99.99 110.998 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -114.95 100.35 8.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.937 -0.764 . . . . 99.99 108.937 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.8 mt -85.96 116.52 24.24 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.087 -0.506 . . . . 99.99 112.284 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 mm -112.42 125.65 69.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.424 -0.807 . . . . 99.99 110.141 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -150.75 140.69 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.524 -0.307 . . . . 99.99 110.326 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 22.49 12.18 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.422 0.451 . . . . 99.99 111.671 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.65 86.79 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.879 -0.601 . . . . 99.99 112.207 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -125.97 168.11 14.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.857 0.36 . . . . 99.99 110.438 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -97.91 133.76 41.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.905 -0.588 . . . . 99.99 109.807 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 45.9 mt -80.85 115.76 20.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.407 -0.36 . . . . 99.99 110.141 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.43 137.92 44.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.344 -0.389 . . . . 99.99 111.141 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.25 -33.34 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.821 -0.627 . . . . 99.99 112.112 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.33 12.22 69.86 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.771 -0.728 . . . . 99.99 112.796 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.29 164.53 12.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.113 -0.328 . . . . 99.99 110.113 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 45.3 p -113.73 167.9 10.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.544 -0.298 . . . . 99.99 110.964 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.31 -27.47 68.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 99.99 111.437 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -27.19 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.932 -0.576 . . . . 99.99 111.281 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -64.11 -42.43 96.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.085 0.469 . . . . 99.99 111.325 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -91.63 3.25 55.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.97 -0.559 . . . . 99.99 111.172 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.38 48.08 12.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.727 -0.669 . . . . 99.99 111.149 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.8 mt -81.37 127.69 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.654 -0.703 . . . . 99.99 109.591 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -104.25 -176.84 3.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.095 -0.502 . . . . 99.99 110.945 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.62 153.29 42.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.865 0.364 . . . . 99.99 111.69 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 68.51 10.67 8.01 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.397 0.888 . . . . 99.99 113.397 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.7 m -74.24 138.71 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.005 -0.368 . . . . 99.99 110.005 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -101.07 112.01 24.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.979 0.419 . . . . 99.99 111.073 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 29.4 mt -88.0 144.47 26.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.952 -0.567 . . . . 99.99 110.041 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -93.62 118.47 31.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.739 -0.467 . . . . 99.99 109.739 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.9 tp -102.61 102.63 12.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.082 0.468 . . . . 99.99 111.396 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 44.3 t -94.46 136.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.638 -0.71 . . . . 99.99 109.217 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -90.75 122.47 33.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.081 0.467 . . . . 99.99 111.384 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.676 -0.693 . . . . 99.99 110.243 179.702 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.532 0.206 . . . . 99.99 111.139 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -38.72 60.28 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.09 0.774 . . . . 99.99 113.09 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 56.9 ttm -54.62 -52.64 61.61 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 111.914 0.339 . . . . 99.99 111.914 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -71.06 -36.65 72.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.991 -0.284 . . . . 99.99 111.512 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.66 -47.07 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.905 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.47 -40.41 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 99.99 110.405 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -64.05 -43.98 93.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 99.99 110.595 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.33 -36.8 85.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 99.99 110.035 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.33 -48.94 77.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.762 -0.653 . . . . 99.99 109.252 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.69 -43.46 94.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.927 -0.579 . . . . 99.99 109.922 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.07 -50.23 74.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.723 -0.672 . . . . 99.99 111.086 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.9 mt -71.61 -27.69 63.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.637 -0.711 . . . . 99.99 112.808 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -77.48 -38.47 49.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.701 0.286 . . . . 99.99 111.07 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -75.0 -34.64 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.072 0.463 . . . . 99.99 109.945 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -126.28 76.67 72.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.719 -0.673 . . . . 99.99 109.976 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.27 129.64 3.3 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.623 2.215 . . . . 10.0 112.791 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -68.76 144.77 60.71 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.286 1.991 . . . . 10.0 110.478 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -52.85 -32.36 56.18 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 123.151 2.568 . . . . 10.0 113.679 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -80.5 -2.17 44.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.39 0.885 . . . . 99.99 113.39 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.8 tp -122.47 123.55 41.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.805 0.336 . . . . 99.99 110.659 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -126.68 159.59 33.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.273 -0.422 . . . . 99.99 110.918 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t30 51.69 64.94 1.65 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.854 -0.612 . . . . 99.99 111.37 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.6 tp -97.24 106.74 19.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.039 -0.528 . . . . 99.99 110.916 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 m -144.58 147.93 33.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.926 -0.579 . . . . 99.99 110.014 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.49 162.24 29.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.399 -0.364 . . . . 99.99 110.116 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -62.06 138.06 58.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.314 -0.624 . . . . 99.99 109.314 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.11 -12.99 61.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.499 0.555 . . . . 99.99 112.499 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.41 -40.78 4.03 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 111.902 0.334 . . . . 99.99 111.902 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -124.44 121.66 35.51 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.825 0.345 . . . . 99.99 111.599 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -67.79 -17.01 21.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 120.954 0.407 . . . . 99.99 111.826 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.73 3.97 30.89 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.871 0.367 . . . . 99.99 111.648 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -121.81 135.02 63.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.174 -0.676 . . . . 99.99 109.174 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -116.83 148.13 41.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.985 0.421 . . . . 99.99 111.405 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -125.65 122.6 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.464 -0.939 . . . . 99.99 108.464 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.3 160.86 43.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.068 0.461 . . . . 99.99 111.901 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 mt -110.29 122.63 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.633 -0.712 . . . . 99.99 109.979 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -95.13 132.92 39.52 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.671 -0.492 . . . . 99.99 109.671 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.67 96.34 36.6 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.117 -0.492 . . . . 99.99 111.015 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -68.09 157.32 62.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 10.0 110.879 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -109.33 -28.11 9.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.657 0.265 . . . . 99.99 111.674 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -65.49 133.0 95.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.598 -0.273 . . . . 99.99 110.752 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.25 143.29 48.06 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.314 2.01 . . . . 10.0 111.014 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -98.61 23.55 21.88 Favored 'Cis proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.992 -1.253 . . . . 10.0 112.192 -0.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -64.73 -20.81 66.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 99.99 111.28 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -78.85 10.14 3.62 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.659 0.614 . . . . 99.99 112.659 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.32 -31.03 25.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.626 0.25 . . . . 99.99 110.84 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -140.83 -164.34 1.72 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.459 -0.337 . . . . 99.99 110.549 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.14 156.49 42.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.439 -0.346 . . . . 99.99 110.407 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -122.85 138.79 54.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.534 -0.303 . . . . 99.99 110.542 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -94.35 134.22 37.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.741 0.305 . . . . 99.99 110.788 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 pp -119.66 154.15 34.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.075 -0.511 . . . . 99.99 111.027 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -121.66 115.82 23.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.827 -0.624 . . . . 99.99 110.33 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.3 mt -100.27 121.63 51.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.446 -0.576 . . . . 99.99 109.446 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -115.35 116.8 28.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.803 0.335 . . . . 99.99 110.773 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -92.98 135.46 25.89 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.202 -0.454 . . . . 99.99 110.669 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.56 155.32 13.94 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.414 2.076 . . . . 10.0 110.744 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.61 -15.28 48.77 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.429 2.086 . . . . 10.0 112.03 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -92.32 13.87 18.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.059 -0.518 . . . . 99.99 111.405 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -65.77 142.84 98.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.426 -0.583 . . . . 99.99 109.426 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -96.08 22.21 27.6 Favored 'Cis proline' 0 C--N 1.35 0.639 0 C-N-CA 124.119 -1.2 . . . . 10.0 113.323 0.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -75.87 -21.23 57.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.239 -0.652 . . . . 99.99 109.239 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -116.1 139.28 24.92 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.291 -0.868 . . . . 99.99 109.336 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.41 141.2 38.22 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.431 2.087 . . . . 10.0 112.345 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -76.25 136.13 17.6 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.518 2.145 . . . . 10.0 111.153 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 50.1 ttm -84.74 117.37 23.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.432 -0.349 . . . . 99.99 110.575 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.1 mt -115.53 128.15 72.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.776 -0.453 . . . . 99.99 109.776 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -144.68 169.63 17.63 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.636 -0.505 . . . . 99.99 109.636 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -92.68 138.83 31.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.676 0.274 . . . . 99.99 110.531 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.99 -22.09 23.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.481 0.657 . . . . 99.99 109.684 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.33 169.2 8.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 99.99 110.124 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -86.15 126.83 34.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.782 0.325 . . . . 99.99 111.182 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.8 tt -127.53 119.13 51.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.049 -0.523 . . . . 99.99 110.58 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -73.4 82.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 99.99 110.226 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -132.46 136.2 27.56 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 99.99 109.757 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.82 -0.87 4.29 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.954 2.436 . . . . 10.0 113.703 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -119.23 15.31 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.044 0.45 . . . . 99.99 110.401 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.65 148.54 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.77 -0.65 . . . . 99.99 109.412 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.41 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -98.46 171.12 8.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.65 -0.25 . . . . 99.99 110.979 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.62 -6.31 14.87 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.521 0.934 . . . . 99.99 113.521 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.41 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 47.6 m-80 -102.43 -7.36 22.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.25 0.547 . . . . 99.99 110.148 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.85 18.39 44.25 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.741 -0.663 . . . . 99.99 111.648 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -86.33 142.48 28.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.915 0.388 . . . . 99.99 110.887 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.3 pt -133.92 176.35 9.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.822 -0.627 . . . . 99.99 109.376 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 86.4 m -142.47 91.13 2.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.085 0.469 . . . . 99.99 109.961 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 81.8 mt -90.48 116.0 65.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.896 -0.593 . . . . 99.99 110.344 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.05 -26.34 68.21 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.781 2.321 . . . . 10.0 112.292 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.9 tt -66.88 -26.65 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-N 115.995 -0.548 . . . . 99.99 112.246 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.0 pt -115.34 16.03 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 111.934 0.346 . . . . 99.99 111.934 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.4 p -67.19 149.97 49.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.864 -0.421 . . . . 99.99 109.864 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 0.53 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.651 0.611 . . . . 99.99 112.651 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -121.2 2.01 10.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.881 -0.145 . . . . 99.99 111.327 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -137.94 3.01 2.42 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.651 0.611 . . . . 99.99 112.651 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -65.47 139.36 58.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.5 0.556 . . . . 99.99 112.5 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -131.36 127.06 21.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 N-CA-C 108.518 -0.919 . . . . 99.99 108.518 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.59 -21.7 69.8 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.726 2.284 . . . . 10.0 113.007 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.76 -9.25 59.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 99.99 111.881 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.46 130.51 35.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.684 0.278 . . . . 99.99 110.514 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -98.28 163.37 12.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.14 -0.482 . . . . 99.99 110.333 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.4 m -59.72 -34.85 73.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.503 . . . . 99.99 111.746 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -37.45 80.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.874 0.369 . . . . 99.99 111.317 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -70.66 -36.99 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.962 -0.563 . . . . 99.99 110.337 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.94 -41.57 84.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.571 . . . . 99.99 109.547 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.17 -37.95 84.75 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.814 -0.63 . . . . 99.99 110.914 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -66.09 -43.83 86.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.848 -0.427 . . . . 99.99 109.848 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.3 98.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.824 -0.625 . . . . 99.99 110.109 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.5 -47.42 85.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.828 -0.624 . . . . 99.99 109.486 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.21 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 99.99 110.817 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.8 t -67.34 -47.77 80.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.063 -0.517 . . . . 99.99 110.381 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.8 mt -64.94 -27.25 68.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.368 . . . . 99.99 111.859 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.6 t -73.86 -47.3 43.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.144 -0.317 . . . . 99.99 110.144 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -72.44 -33.87 67.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.997 -0.547 . . . . 99.99 110.95 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -119.78 90.51 43.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 99.99 110.178 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.19 122.86 10.97 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.036 2.491 . . . . 10.0 112.47 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -73.28 106.35 5.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.166 -0.47 . . . . 99.99 110.309 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.7 pp -82.94 -13.75 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.029 -0.532 . . . . 99.99 112.034 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 15.0 mtp-105 -68.49 -60.63 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.537 -0.542 . . . . 99.99 109.537 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -124.8 82.06 60.82 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.652 -0.704 . . . . 99.99 109.94 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -93.17 168.21 2.36 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.985 2.457 . . . . 10.0 111.88 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.23 -21.43 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.297 0.57 . . . . 99.99 109.615 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -128.07 96.63 4.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 99.99 110.563 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -62.2 -28.56 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 99.99 110.828 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -66.93 -47.03 72.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.855 -0.611 . . . . 99.99 110.98 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.5 mp -73.46 -36.13 65.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.047 -0.524 . . . . 99.99 110.98 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.6 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 99.99 111.106 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.03 -40.23 95.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 99.99 110.546 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.7 -41.12 94.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 99.99 110.501 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.04 -27.11 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.81 -0.632 . . . . 99.99 110.839 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 m -84.19 -32.09 24.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.089 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -75.32 -54.34 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 99.99 111.372 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -149.42 99.53 3.39 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.863 0.363 . . . . 99.99 110.926 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.9 -35.2 98.35 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.163 2.575 . . . . 10.0 112.719 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -63.47 -47.59 81.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.537 0.208 . . . . 99.99 111.064 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 31.9 tp -59.4 -42.82 92.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.027 0.442 . . . . 99.99 110.291 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -66.04 -40.81 91.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 99.99 109.579 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -61.31 -39.41 90.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.739 . . . . 99.99 110.552 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -62.0 -47.5 84.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.969 0.414 . . . . 99.99 110.331 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -63.42 -45.5 90.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.813 -0.63 . . . . 99.99 110.556 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.63 78.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 99.99 110.922 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.39 -49.83 75.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.007 -0.542 . . . . 99.99 110.72 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.98 -45.61 84.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.854 -0.338 . . . . 99.99 110.704 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -57.33 -45.01 84.71 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.247 0.342 . . . . 99.99 111.765 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.2 m -63.74 -35.94 82.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.123 0.487 . . . . 99.99 110.824 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.42 19.44 9.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 99.99 111.077 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -130.56 -41.94 1.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.312 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -117.53 12.37 14.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.749 0.309 . . . . 99.99 111.288 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -101.22 152.76 18.95 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.586 -0.816 . . . . 99.99 112.352 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.84 161.5 2.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.715 -0.846 . . . . 99.99 108.715 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -59.28 147.55 35.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 99.99 111.491 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.885 -178.409 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.751 0.31 . . . . 99.99 110.524 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -97.35 126.36 42.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.198 -0.456 . . . . 99.99 110.907 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.4 pt -123.14 160.59 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.288 -0.414 . . . . 99.99 110.084 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -122.19 118.54 28.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.936 0.398 . . . . 99.99 110.934 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.3 t -103.99 117.11 48.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.586 -0.524 . . . . 99.99 109.586 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -102.51 127.88 49.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.439 -0.346 . . . . 99.99 111.075 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -89.4 166.31 13.8 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.118 -0.492 . . . . 99.99 109.723 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.04 -23.74 67.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 99.99 110.668 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -6.96 52.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.6 -0.727 . . . . 99.99 111.296 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.74 -31.16 8.47 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.008 -0.615 . . . . 99.99 112.285 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -56.79 117.57 4.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.965 0.412 . . . . 99.99 111.484 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -103.27 122.88 45.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.306 -0.627 . . . . 99.99 109.306 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.6 pt -103.26 152.56 5.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.308 -0.406 . . . . 99.99 111.067 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -102.09 130.3 48.64 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.0 -0.546 . . . . 99.99 109.558 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 tp -133.01 145.95 51.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.855 0.36 . . . . 99.99 110.82 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -109.88 106.18 15.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.053 -0.522 . . . . 99.99 110.068 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 m -128.81 167.42 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 99.99 110.188 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -116.89 158.39 44.01 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 109.732 -0.47 . . . . 99.99 109.732 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.21 -16.19 38.93 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.433 2.089 . . . . 10.0 111.595 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -88.79 -3.83 58.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.735 -0.666 . . . . 99.99 111.142 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.05 130.14 37.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.831 0.348 . . . . 99.99 111.4 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.24 151.37 26.86 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.07 -0.715 . . . . 99.99 109.07 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -55.41 -41.63 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.777 0.322 . . . . 99.99 111.397 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.75 -32.94 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.174 0.511 . . . . 99.99 110.413 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -74.46 -36.82 63.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 99.99 109.96 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.37 -41.49 92.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.876 -0.602 . . . . 99.99 109.654 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -58.5 -41.34 85.13 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.078 -0.51 . . . . 99.99 110.887 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.35 97.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.845 -0.616 . . . . 99.99 110.729 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -65.28 -33.77 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.229 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.18 -40.27 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.531 -0.544 . . . . 99.99 109.531 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -70.9 -29.19 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.197 0.522 . . . . 99.99 109.829 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.12 -42.72 99.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.328 -0.851 . . . . 99.99 111.733 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -52.3 4.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.1 0.778 . . . . 99.99 113.1 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -75.49 -59.32 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 99.99 111.569 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.29 -6.56 10.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.645 -0.788 . . . . 99.99 112.503 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -68.84 121.81 82.74 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.571 -0.159 . . . . 99.99 110.571 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -62.56 138.09 68.18 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.917 2.411 . . . . 10.0 111.876 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.84 -25.96 55.0 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.378 2.719 . . . . 10.0 113.163 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -68.3 -18.43 64.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.18 0.514 . . . . 99.99 110.64 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -112.13 8.71 20.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 99.99 110.785 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -97.72 105.48 17.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.308 -0.406 . . . . 99.99 112.073 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -110.46 93.77 4.66 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.46 -0.57 . . . . 99.99 109.46 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 54.1 mt -84.3 124.65 31.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.84 -0.618 . . . . 99.99 112.349 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 34.3 mm -116.68 130.98 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.599 -0.728 . . . . 99.99 109.552 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -136.89 117.28 13.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.492 -0.322 . . . . 99.99 111.094 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.0 26.61 16.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.892 -0.595 . . . . 99.99 111.976 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.86 82.32 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.663 -0.78 . . . . 99.99 112.869 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -104.44 145.99 29.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.723 0.261 . . . . 99.99 110.724 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -88.67 127.83 35.59 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.319 -0.623 . . . . 99.99 109.319 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 48.4 mt -75.26 110.06 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.78 0.324 . . . . 99.99 110.998 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.9 131.72 40.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 99.99 110.261 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -48.94 -40.81 31.65 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.499 0.926 . . . . 99.99 113.499 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.1 9.27 67.01 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 114.932 0.733 . . . . 99.99 114.932 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -103.85 163.36 12.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.582 0.691 . . . . 99.99 111.237 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.39 166.51 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.214 -0.291 . . . . 99.99 110.214 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.04 -28.71 69.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.989 0.423 . . . . 99.99 110.844 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -29.05 67.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.891 -0.595 . . . . 99.99 110.688 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.21 -43.04 92.29 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.129 0.49 . . . . 99.99 111.272 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.75 7.91 39.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.987 -0.551 . . . . 99.99 111.418 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 58.04 44.82 18.85 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.536 0.684 . . . . 99.99 111.136 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -82.01 128.35 38.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.661 -0.699 . . . . 99.99 110.49 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.42 -165.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.967 -0.561 . . . . 99.99 110.329 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 151.21 35.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.538 -0.301 . . . . 99.99 111.011 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 68.49 19.08 8.86 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.777 -0.647 . . . . 99.99 112.317 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -78.56 130.97 36.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.408 -0.36 . . . . 99.99 110.43 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -93.72 114.69 27.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.089 0.471 . . . . 99.99 110.832 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 72.0 mt -98.33 143.47 28.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.114 -0.698 . . . . 99.99 109.114 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -103.01 116.49 32.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.68 0.276 . . . . 99.99 110.257 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 52.8 tp -97.24 106.41 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.159 0.504 . . . . 99.99 111.376 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 45.1 t -93.32 118.07 38.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.718 -0.673 . . . . 99.99 109.279 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.31 113.68 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.357 -0.383 . . . . 99.99 111.298 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 99.99 110.337 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.703 0.287 . . . . 99.99 111.532 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -35.76 65.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.182 0.808 . . . . 99.99 113.182 -178.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mmm -56.48 -31.84 64.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.87 0.366 . . . . 99.99 111.977 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -91.56 -36.21 13.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.842 0.353 . . . . 99.99 110.173 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.6 t -57.98 -48.27 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.939 -0.573 . . . . 99.99 111.236 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.66 -38.54 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.948 0.404 . . . . 99.99 110.175 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -51.04 63.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 99.99 110.876 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -62.66 -37.53 86.73 Favored 'General case' 0 N--CA 1.46 0.059 0 CA-C-O 120.487 0.185 . . . . 99.99 111.032 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.43 -55.7 25.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.49 -0.323 . . . . 99.99 110.167 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -59.21 -36.82 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.742 -0.663 . . . . 99.99 110.301 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.54 -49.05 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.548 -0.751 . . . . 99.99 110.869 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.48 -24.76 64.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 99.99 111.71 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -73.97 -22.88 59.46 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.066 0.46 . . . . 99.99 110.39 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -78.25 -40.94 35.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.549 . . . . 99.99 109.736 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.46 80.28 70.63 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.606 -0.725 . . . . 99.99 109.669 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.16 142.57 15.33 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.476 2.117 . . . . 10.0 112.4 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.94 145.78 63.09 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.283 1.989 . . . . 10.0 111.182 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.49 -0.97 2.17 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 123.262 2.641 . . . . 10.0 114.056 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -121.13 8.28 10.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.779 0.288 . . . . 99.99 111.779 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.6 tp -145.8 111.88 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.796 0.331 . . . . 99.99 110.561 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -128.51 173.25 10.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.316 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 m120 65.15 27.49 12.34 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.069 -0.514 . . . . 99.99 111.616 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.3 tp -67.94 105.28 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.19 0.519 . . . . 99.99 110.954 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.39 161.4 36.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.732 -0.667 . . . . 99.99 109.806 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.41 173.39 9.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.9 -0.407 . . . . 99.99 109.9 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.86 171.9 10.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.409 -0.589 . . . . 99.99 109.409 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -87.68 -24.1 23.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.948 0.404 . . . . 99.99 111.326 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.03 4.59 10.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.312 0.486 . . . . 99.99 112.312 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -153.04 138.19 17.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.821 0.343 . . . . 99.99 111.132 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.47 -11.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.144 0.497 . . . . 99.99 110.5 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.01 5.18 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.533 . . . . 99.99 111.452 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.17 115.81 48.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.09 -0.337 . . . . 99.99 110.09 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.6 m0 -97.95 141.8 30.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.398 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -125.76 121.59 33.79 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.411 -0.959 . . . . 99.99 108.411 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.54 165.79 32.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.936 0.398 . . . . 99.99 111.599 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.8 mt -111.83 120.25 41.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.788 -0.642 . . . . 99.99 110.11 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.7 tp -91.74 135.59 33.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.399 -0.593 . . . . 99.99 109.399 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 mp -122.26 93.93 48.22 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.341 -0.39 . . . . 99.99 111.24 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.39 150.91 59.15 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.615 2.21 . . . . 10.0 110.84 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.05 -29.4 13.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.834 0.35 . . . . 99.99 110.969 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -60.55 131.9 90.88 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.51 . . . . 99.99 111.158 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.32 144.75 51.93 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.824 2.349 . . . . 10.0 111.007 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -99.02 23.53 21.27 Favored 'Cis proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.926 -1.281 . . . . 10.0 111.908 -0.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -68.87 -13.0 62.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.475 . . . . 99.99 112.037 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -82.16 9.86 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.028 0.751 . . . . 99.99 113.028 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.94 -33.65 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.855 0.359 . . . . 99.99 111.025 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -135.53 -173.26 3.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.305 -0.407 . . . . 99.99 110.513 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.39 156.32 32.91 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.957 -0.386 . . . . 99.99 109.957 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -121.72 128.19 51.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.719 0.295 . . . . 99.99 110.88 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -85.23 130.53 34.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.392 -0.367 . . . . 99.99 110.847 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 pp -118.11 154.96 31.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.034 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.79 116.79 25.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 99.99 110.244 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.8 mt -102.14 114.27 41.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.643 -0.503 . . . . 99.99 109.643 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.67 115.51 30.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.501 -0.318 . . . . 99.99 111.089 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -92.23 124.93 58.25 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.238 -0.437 . . . . 99.99 110.713 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.74 153.42 33.72 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.312 2.008 . . . . 10.0 110.901 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.57 -15.46 50.1 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.526 2.151 . . . . 10.0 111.909 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.52 18.38 11.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 99.99 111.11 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -68.68 143.8 95.42 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.63 -0.507 . . . . 99.99 109.63 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -95.85 17.02 36.44 Favored 'Cis proline' 0 C--N 1.349 0.596 0 C-N-CA 124.097 -1.21 . . . . 10.0 113.101 0.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -68.57 -29.66 68.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.27 -0.641 . . . . 99.99 109.27 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.4 133.79 20.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.01 -0.995 . . . . 99.99 109.125 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.33 145.82 78.86 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.756 2.304 . . . . 10.0 112.719 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.43 139.14 22.87 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.712 2.275 . . . . 10.0 111.882 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 49.8 mtm -89.94 106.97 18.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 99.99 110.288 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.4 mt -111.55 131.95 61.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.309 . . . . 99.99 110.67 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -144.17 162.18 36.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.74 -0.467 . . . . 99.99 109.74 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -96.42 134.74 39.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.677 0.275 . . . . 99.99 110.611 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 m -86.51 -35.21 19.71 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.731 -0.84 . . . . 99.99 108.731 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 m -82.75 139.26 33.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.07 -0.968 . . . . 99.99 110.754 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -70.52 106.95 3.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 99.99 110.456 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.2 tt -110.15 121.51 63.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.056 0.455 . . . . 99.99 111.239 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -77.64 78.0 4.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 99.99 110.21 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -127.14 134.35 26.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.962 -0.563 . . . . 99.99 109.795 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -60.23 -16.24 39.36 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 123.212 2.608 . . . . 10.0 114.057 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -107.0 18.7 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.767 0.318 . . . . 99.99 111.213 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.9 t -135.71 142.93 37.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.926 -0.768 . . . . 99.99 108.926 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -89.5 168.55 12.09 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.434 -0.21 . . . . 99.99 110.434 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -60.13 -24.16 64.46 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.374 0.879 . . . . 99.99 113.374 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 58.2 t30 -84.92 -24.17 28.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.2 0.524 . . . . 99.99 110.885 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.69 17.02 9.45 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.879 -0.677 . . . . 99.99 112.574 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -81.3 142.04 33.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.02 -0.363 . . . . 99.99 110.02 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.3 pt -132.03 144.57 36.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.233 -0.439 . . . . 99.99 111.146 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 50.7 m -107.61 95.64 5.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 99.99 110.18 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.4 tp -100.47 112.19 63.99 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 99.99 110.138 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.77 -33.23 79.95 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.435 2.757 . . . . 10.0 114.055 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.5 tt -66.26 -20.42 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.271 0.471 . . . . 99.99 112.271 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 29.2 pt -120.98 25.61 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.283 0.563 . . . . 99.99 110.648 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 84.2 p -77.3 155.49 32.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 99.99 109.516 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -72.09 -1.43 14.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.963 0.411 . . . . 99.99 112.053 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -117.7 -4.63 11.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.519 -0.31 . . . . 99.99 111.82 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -149.13 53.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.096 0.474 . . . . 99.99 110.886 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -119.27 137.15 53.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 99.99 110.917 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.82 128.9 24.77 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.855 -0.611 . . . . 99.99 109.903 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.39 -10.41 23.85 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.054 2.503 . . . . 10.0 113.167 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -87.48 1.44 53.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.126 0.488 . . . . 99.99 111.28 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.6 m -85.57 135.47 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 99.99 110.117 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -90.6 156.25 18.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.343 -0.389 . . . . 99.99 109.972 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.5 m -61.16 -30.26 70.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.999 0.428 . . . . 99.99 111.32 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -35.84 80.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.658 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -68.05 -37.88 81.84 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.313 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.12 -45.07 99.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.91 -0.587 . . . . 99.99 109.918 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.48 -37.69 87.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 99.99 110.51 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.07 -51.57 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.641 . . . . 99.99 110.161 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.83 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.915 -0.584 . . . . 99.99 111.059 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.27 -47.33 84.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.531 . . . . 99.99 110.479 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -56.85 -35.02 68.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.951 -0.568 . . . . 99.99 110.999 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.0 t -63.46 -49.07 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.559 . . . . 99.99 110.374 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.1 mt -69.05 -25.11 64.3 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.074 0.398 . . . . 99.99 112.074 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -71.99 -47.28 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.913 0.387 . . . . 99.99 110.358 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -79.48 -26.87 41.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.004 -0.544 . . . . 99.99 111.14 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -115.48 93.72 37.47 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.931 -0.396 . . . . 99.99 109.931 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.12 113.26 2.77 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.576 2.184 . . . . 10.0 111.985 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -75.21 102.52 5.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.065 -0.516 . . . . 99.99 110.42 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 pt -81.84 -7.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 99.99 111.865 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.2 mtp-105 -80.14 -53.28 6.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.291 -0.633 . . . . 99.99 109.291 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -123.3 79.4 53.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.413 -0.812 . . . . 99.99 109.858 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -98.89 -177.17 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.108 2.539 . . . . 10.0 112.052 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.4 mp -103.33 -35.17 8.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.221 0.534 . . . . 99.99 109.584 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.8 mtp85 -119.34 104.23 10.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.71 -0.677 . . . . 99.99 109.895 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -61.76 -36.83 82.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.482 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.0 p-10 -60.22 -45.06 94.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.389 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.8 mp -71.01 -41.81 70.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 99.99 110.856 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.71 -49.59 74.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 99.99 111.469 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.16 -37.65 86.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.355 -0.384 . . . . 99.99 110.928 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.63 -41.18 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 99.99 110.431 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.99 -30.41 70.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.984 -0.553 . . . . 99.99 110.902 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.79 -42.29 28.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.327 -0.397 . . . . 99.99 110.15 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -67.65 -60.21 2.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 99.99 111.721 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -139.56 99.43 7.77 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 120.777 0.322 . . . . 99.99 111.01 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.22 -29.62 90.87 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.029 2.486 . . . . 10.0 112.646 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -69.8 -48.73 58.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.833 -0.167 . . . . 99.99 111.093 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 31.2 tp -57.85 -44.08 86.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.905 0.383 . . . . 99.99 110.59 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -64.99 -44.92 87.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 99.99 110.073 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -59.69 -42.65 93.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.806 -0.634 . . . . 99.99 110.823 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -63.2 -43.73 97.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.197 -0.456 . . . . 99.99 110.871 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -66.26 -47.13 74.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.076 -0.511 . . . . 99.99 110.071 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.47 91.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.92 -0.582 . . . . 99.99 111.107 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -57.18 -51.76 68.04 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.184 -0.462 . . . . 99.99 110.541 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -59.46 -43.5 93.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.736 -0.666 . . . . 99.99 111.181 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -63.79 -40.82 97.58 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.356 -0.384 . . . . 99.99 111.091 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 28.2 m -62.88 -40.95 99.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 99.99 109.931 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.6 mt -87.89 17.4 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.179 0.514 . . . . 99.99 110.816 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -116.26 -59.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 99.99 110.851 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.49 -15.19 14.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 99.99 111.845 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -63.45 145.63 50.02 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.185 -0.531 . . . . 99.99 113.705 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 17.0 t -77.69 149.1 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.208 -1.034 . . . . 99.99 108.208 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -57.8 144.64 37.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.63 0.252 . . . . 99.99 111.379 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.051 -0.522 . . . . 99.99 111.147 -179.298 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.829 0.347 . . . . 99.99 110.771 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.11 126.57 47.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.007 -0.542 . . . . 99.99 111.663 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.3 pt -127.06 169.64 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.915 -0.584 . . . . 99.99 109.435 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -122.25 137.3 54.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.863 0.363 . . . . 99.99 111.256 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -116.78 119.86 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.433 -0.58 . . . . 99.99 109.433 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -108.83 135.45 50.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.843 0.354 . . . . 99.99 111.209 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -100.63 -177.73 3.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.044 -0.526 . . . . 99.99 111.062 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.76 -13.47 60.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 99.99 112.164 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.1 p -93.77 -7.61 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.897 0.38 . . . . 99.99 110.702 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.91 -11.62 62.42 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.431 -0.668 . . . . 99.99 111.431 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -63.74 111.73 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.027 -0.36 . . . . 99.99 110.027 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -109.6 120.21 41.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.848 -0.614 . . . . 99.99 110.408 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 18.6 pt -110.58 159.07 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.167 -0.47 . . . . 99.99 110.944 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 142.76 26.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.97 -0.752 . . . . 99.99 108.97 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 tp -130.95 133.56 45.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.053 0.454 . . . . 99.99 111.956 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.84 103.91 15.91 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.535 -0.757 . . . . 99.99 109.411 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 m -138.14 172.73 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.914 0.388 . . . . 99.99 111.049 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -125.49 159.29 61.13 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.851 -0.796 . . . . 99.99 108.851 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -58.21 -27.46 80.58 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.144 1.896 . . . . 10.0 111.525 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.84 4.29 37.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.871 -0.604 . . . . 99.99 111.902 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -81.31 138.68 35.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.842 0.353 . . . . 99.99 111.059 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.62 150.62 22.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.719 -0.673 . . . . 99.99 110.127 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.96 -33.61 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.669 0.271 . . . . 99.99 111.475 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.76 -36.04 81.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.937 0.398 . . . . 99.99 110.586 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -77.82 -32.01 51.98 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.598 -0.519 . . . . 99.99 109.598 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.39 -46.59 96.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.586 -0.734 . . . . 99.99 109.123 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.456 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 88.4 mttt -62.22 -38.34 88.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.829 -0.623 . . . . 99.99 110.281 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.44 95.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.722 -0.672 . . . . 99.99 110.558 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.89 -37.41 84.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 99.99 110.838 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.69 -39.61 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.28 -0.637 . . . . 99.99 109.28 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.35 -28.06 69.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.694 -0.684 . . . . 99.99 110.68 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.56 -47.7 53.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.097 -0.501 . . . . 99.99 112.082 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -83.34 -49.76 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.755 1.02 . . . . 99.99 113.755 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.04 -45.51 18.21 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.424 0.527 . . . . 99.99 112.424 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.49 27.18 9.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.376 -0.916 . . . . 99.99 111.803 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -101.84 123.36 44.13 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.649 -0.5 . . . . 99.99 109.649 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -54.31 133.24 54.99 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.897 2.398 . . . . 10.0 112.232 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.09 -27.83 75.97 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.252 2.634 . . . . 10.0 112.959 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.38 -30.85 71.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.365 0.603 . . . . 99.99 110.777 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -95.38 6.26 49.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.693 -0.685 . . . . 99.99 111.174 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -96.15 99.39 11.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 99.99 112.0 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -98.24 87.7 3.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.199 -0.667 . . . . 99.99 109.199 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 37.3 mt -74.91 119.98 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.644 -0.707 . . . . 99.99 111.8 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mm -118.73 131.53 71.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.744 -0.662 . . . . 99.99 110.102 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -138.6 127.49 23.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.987 -0.375 . . . . 99.99 109.987 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.4 27.51 15.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.059 -0.518 . . . . 99.99 111.538 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.44 7.03 88.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.029 -0.605 . . . . 99.99 113.056 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -116.61 150.27 38.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.718 -0.284 . . . . 99.99 110.502 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -84.01 141.98 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.937 -0.394 . . . . 99.99 109.937 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 45.8 mt -96.02 113.25 24.84 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.006 -0.543 . . . . 99.99 110.737 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -78.93 132.33 36.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.118 -0.492 . . . . 99.99 110.308 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.456 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 14.8 m-20 -52.54 -33.37 45.16 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.704 0.631 . . . . 99.99 112.704 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.14 -18.79 80.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.945 -0.645 . . . . 99.99 113.154 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -85.84 162.52 18.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.254 0.55 . . . . 99.99 111.139 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.8 p -107.27 167.55 9.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.499 -0.773 . . . . 99.99 109.373 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.32 -34.1 76.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.719 0.295 . . . . 99.99 110.954 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.7 p -67.89 -27.01 66.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.146 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -61.32 -40.83 95.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 99.99 110.651 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -94.48 0.76 55.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.1 -0.5 . . . . 99.99 110.494 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 65.88 40.83 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.579 -0.737 . . . . 99.99 111.393 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 46.7 mt -87.36 119.3 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.865 -0.607 . . . . 99.99 109.722 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -108.86 -169.43 1.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.222 -0.444 . . . . 99.99 110.666 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -70.82 161.9 30.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.78 0.324 . . . . 99.99 111.378 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.45 18.3 11.27 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.904 0.705 . . . . 99.99 112.904 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -92.78 150.22 20.78 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.922 -0.399 . . . . 99.99 109.922 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.9 m -112.2 117.06 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.896 0.379 . . . . 99.99 111.493 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 55.5 mt -95.73 147.38 23.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.226 -0.657 . . . . 99.99 109.226 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -103.44 123.02 46.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.655 0.264 . . . . 99.99 110.479 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 34.9 tp -102.47 102.91 13.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.207 0.527 . . . . 99.99 111.561 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 64.6 t -90.74 127.2 43.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.964 -0.754 . . . . 99.99 108.964 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.84 125.67 31.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.164 0.507 . . . . 99.99 111.889 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.56 -0.745 . . . . 99.99 109.813 179.613 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.396 0.141 . . . . 99.99 111.372 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.45 -37.7 62.86 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.092 0.775 . . . . 99.99 113.092 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -55.05 -51.63 65.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.81 0.338 . . . . 99.99 111.133 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -68.13 -37.88 81.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.415 -0.357 . . . . 99.99 110.694 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.8 t -57.47 -46.64 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 99.99 110.461 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.94 -39.49 85.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 121.053 0.454 . . . . 99.99 110.269 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -42.6 97.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 99.99 110.319 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -70.38 -34.22 72.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.0 0.428 . . . . 99.99 110.652 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.74 -52.98 61.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.796 -0.638 . . . . 99.99 109.583 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.75 -9.33 58.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 99.99 111.157 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.2 -55.29 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.283 -0.636 . . . . 99.99 109.283 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.77 -17.63 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.649 -0.705 . . . . 99.99 111.443 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -70.56 -22.1 62.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 99.99 111.062 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -89.23 -38.63 14.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 99.99 110.696 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -131.07 80.27 69.39 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 99.99 110.673 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -86.32 141.64 6.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.371 2.047 . . . . 10.0 111.805 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -66.48 151.0 83.98 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.351 2.034 . . . . 10.0 111.201 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -57.99 -24.19 64.11 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.911 2.408 . . . . 10.0 113.299 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -93.21 11.93 26.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.521 0.563 . . . . 99.99 112.521 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 tp -137.63 116.98 12.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.679 0.276 . . . . 99.99 110.257 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -122.98 152.54 40.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.527 -0.306 . . . . 99.99 111.101 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.48 41.13 23.17 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.75 -0.659 . . . . 99.99 112.612 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.8 tp -74.76 94.82 2.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.849 0.357 . . . . 99.99 110.16 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -134.88 161.51 35.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.266 -0.424 . . . . 99.99 110.529 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.69 177.38 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.12 -0.326 . . . . 99.99 110.12 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -76.4 167.34 22.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.78 0.324 . . . . 99.99 110.959 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.85 -32.46 72.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.128 -0.487 . . . . 99.99 111.534 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.18 -38.5 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.508 0.559 . . . . 99.99 112.508 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -93.68 123.32 36.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 99.99 111.263 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.58 -15.58 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 99.99 110.932 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.0 mt -90.35 5.87 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 99.99 111.293 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.8 t -120.82 120.95 63.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.933 -0.395 . . . . 99.99 109.933 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 46.9 m0 -106.94 146.71 30.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.101 0.477 . . . . 99.99 110.946 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -124.21 125.8 45.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.903 -1.147 . . . . 99.99 107.903 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.4 153.25 35.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.834 -0.346 . . . . 99.99 111.479 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.2 mt -101.46 114.57 28.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.989 -0.551 . . . . 99.99 110.416 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.5 tp -84.67 133.75 34.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.565 -0.531 . . . . 99.99 109.565 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 mp -115.57 85.73 14.2 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.257 -0.429 . . . . 99.99 111.124 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.56 137.22 41.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.302 2.001 . . . . 10.0 110.296 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -88.12 -33.46 18.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.739 0.304 . . . . 99.99 111.396 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -60.88 126.87 86.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.101 -0.499 . . . . 99.99 110.979 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.36 152.57 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.416 2.077 . . . . 10.0 111.236 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -92.88 17.26 42.09 Favored 'Cis proline' 0 N--CA 1.461 -0.437 0 C-N-CA 123.74 -1.358 . . . . 10.0 112.33 0.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -73.12 -0.49 14.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.102 0.477 . . . . 99.99 110.988 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -84.21 -6.02 59.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.006 -0.543 . . . . 99.99 110.972 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.5 mt -81.61 -30.05 33.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.208 0.447 . . . . 99.99 112.208 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -137.73 -168.4 2.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.607 0.242 . . . . 99.99 111.03 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.85 154.84 43.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.07 -0.514 . . . . 99.99 109.823 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -124.95 121.01 33.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.528 -0.305 . . . . 99.99 110.728 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -79.3 139.12 37.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.446 -0.343 . . . . 99.99 110.674 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pp -120.24 152.81 37.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.27 -0.423 . . . . 99.99 110.834 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -116.6 113.77 23.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 99.99 110.337 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.5 mt -99.4 113.37 34.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.51 -0.552 . . . . 99.99 109.51 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.06 107.98 18.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.896 0.379 . . . . 99.99 110.871 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -83.75 132.91 47.46 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.196 -0.456 . . . . 99.99 110.811 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -82.83 150.08 14.2 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.311 2.008 . . . . 10.0 110.833 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -59.86 -18.11 47.52 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.53 2.153 . . . . 10.0 112.628 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -84.66 5.02 29.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 99.99 111.587 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -56.0 137.17 73.29 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 110.343 -0.243 . . . . 99.99 110.343 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -99.58 27.58 15.73 Favored 'Cis proline' 0 C--N 1.35 0.615 0 C-N-CA 124.241 -1.149 . . . . 10.0 113.565 0.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -76.09 -25.58 55.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.245 -0.65 . . . . 99.99 109.245 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -118.78 137.74 25.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.227 -0.897 . . . . 99.99 109.672 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.61 146.03 77.99 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.856 2.371 . . . . 10.0 112.927 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.39 137.54 25.81 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.628 2.219 . . . . 10.0 111.601 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.0 mtm -84.76 107.61 17.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.17 -0.468 . . . . 99.99 110.502 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.4 mt -111.18 129.62 66.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.739 0.304 . . . . 99.99 110.47 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -139.51 165.06 28.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.086 -0.506 . . . . 99.99 109.864 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -91.12 135.38 33.81 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 121.039 -0.265 . . . . 99.99 111.039 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -89.63 -33.6 16.61 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.769 -0.826 . . . . 99.99 108.769 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 m -90.8 138.17 31.79 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.179 -0.919 . . . . 99.99 109.597 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -70.27 114.64 8.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.755 0.312 . . . . 99.99 110.682 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.6 tt -118.5 128.31 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.212 0.53 . . . . 99.99 111.643 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -81.75 79.88 8.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.535 . . . . 99.99 110.315 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -124.8 138.55 31.57 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 99.99 109.95 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.36 -0.43 4.26 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.138 2.559 . . . . 10.0 113.557 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -120.72 15.45 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.989 0.423 . . . . 99.99 110.31 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.1 t -132.89 147.3 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 108.433 -0.951 . . . . 99.99 108.433 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.16 174.36 7.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.694 0.283 . . . . 99.99 110.902 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.48 -32.06 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 99.99 111.983 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.61 -49.36 26.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.956 0.408 . . . . 99.99 110.855 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.51 20.66 0.69 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.763 -0.653 . . . . 99.99 111.821 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -86.49 146.65 26.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 99.99 110.3 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.0 pt -137.36 157.41 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.874 -0.603 . . . . 99.99 110.493 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 m -119.62 127.81 53.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.112 -0.494 . . . . 99.99 109.671 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 mp -128.55 121.22 21.14 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.411 -0.359 . . . . 99.99 110.951 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -61.24 -26.3 81.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.721 2.281 . . . . 10.0 111.768 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.6 tt -67.83 -25.74 33.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.877 -0.601 . . . . 99.99 112.056 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.4 pt -123.2 21.17 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 99.99 110.7 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.9 p -74.52 149.86 40.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.366 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -11.38 54.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.073 0.463 . . . . 99.99 110.97 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -100.85 -5.27 26.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 99.99 110.144 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -163.59 103.15 0.93 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.062 -0.517 . . . . 99.99 110.861 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -150.08 138.29 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.399 . . . . 99.99 110.509 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -120.76 123.48 27.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.637 -0.505 . . . . 99.99 109.637 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -64.2 -12.81 34.45 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.826 2.351 . . . . 10.0 112.396 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.73 -0.27 57.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.518 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.0 m -82.38 127.05 32.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.483 -0.326 . . . . 99.99 110.845 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -92.09 161.11 14.9 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.828 -0.434 . . . . 99.99 109.828 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -57.39 -33.02 67.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.953 0.406 . . . . 99.99 111.333 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -33.29 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 99.99 111.4 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -75.24 -41.13 58.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.373 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.49 -45.54 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.791 -0.64 . . . . 99.99 110.455 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.93 -38.08 89.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 99.99 110.821 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.96 -46.91 76.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 99.99 110.116 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.28 83.59 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.804 -0.635 . . . . 99.99 110.55 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.7 tp -64.95 -45.43 85.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 99.99 110.324 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -55.21 -39.48 69.71 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.021 -0.536 . . . . 99.99 110.723 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.7 -44.61 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.541 . . . . 99.99 110.232 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.72 -28.46 69.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 99.99 111.562 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.0 t -76.07 -48.43 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.529 -0.305 . . . . 99.99 110.942 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -73.91 -27.62 61.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 99.99 111.17 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -118.92 92.79 45.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.834 -0.432 . . . . 99.99 109.834 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.56 116.15 3.93 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.655 2.237 . . . . 10.0 111.641 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.37 106.56 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.136 -0.484 . . . . 99.99 110.423 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 19.1 pt -85.16 -11.0 11.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.618 -0.719 . . . . 99.99 111.612 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -75.04 -60.03 2.47 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.659 -0.497 . . . . 99.99 109.659 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.99 80.19 34.03 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.702 -0.681 . . . . 99.99 109.717 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -94.03 174.85 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.792 2.328 . . . . 10.0 111.759 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.6 mp -98.57 -12.68 20.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.24 0.543 . . . . 99.99 109.85 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -130.93 115.5 16.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.698 -0.683 . . . . 99.99 111.007 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 88.0 mtp -74.5 -11.15 60.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.102 -0.499 . . . . 99.99 111.438 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -90.68 -57.11 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.316 -0.402 . . . . 99.99 111.54 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 mp -62.17 -40.34 95.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.895 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.28 89.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.695 0.283 . . . . 99.99 111.005 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.09 -41.49 74.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.051 -0.522 . . . . 99.99 110.254 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.21 -40.98 95.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.877 -0.602 . . . . 99.99 110.364 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.44 -38.62 91.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.83 -0.623 . . . . 99.99 111.319 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -35.19 62.16 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.981 -0.287 . . . . 99.99 111.105 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -70.63 -52.55 20.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 99.99 110.938 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -148.38 97.23 3.82 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.328 -0.397 . . . . 99.99 110.407 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.45 -38.64 93.78 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.287 2.658 . . . . 10.0 113.284 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -64.48 -43.14 95.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.73 -0.214 . . . . 99.99 111.308 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.0 tp -59.22 -45.92 89.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.012 0.434 . . . . 99.99 110.325 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -66.19 -41.29 90.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.791 -0.64 . . . . 99.99 109.992 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.448 HH12 ' CD ' ' A' ' 140' ' ' GLU . 23.7 ttp85 -61.04 -35.12 76.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 99.99 111.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -63.23 -53.75 48.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 99.99 111.051 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -61.18 -42.64 98.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.138 0.494 . . . . 99.99 109.833 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.14 83.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 99.99 110.971 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.448 ' CD ' HH12 ' A' ' 136' ' ' ARG . 18.5 tt0 -62.53 -48.61 78.77 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.806 0.336 . . . . 99.99 110.271 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -61.93 -42.15 98.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.023 -0.535 . . . . 99.99 109.986 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.09 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 99.99 110.649 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 32.7 m -63.43 -39.31 94.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 99.99 111.248 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 94.2 mt -81.35 -13.69 58.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.005 0.431 . . . . 99.99 111.726 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -92.13 -55.89 3.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.341 0.497 . . . . 99.99 112.341 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -99.69 -23.02 15.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.746 0.647 . . . . 99.99 112.746 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -60.4 140.52 48.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.127 -0.559 . . . . 99.99 113.408 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.5 t -81.01 152.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.782 -0.821 . . . . 99.99 108.782 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.81 133.54 51.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.713 0.292 . . . . 99.99 111.438 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.864 -0.607 . . . . 99.99 111.259 -179.019 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.855 0.359 . . . . 99.99 110.641 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -85.35 127.52 34.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 99.99 112.393 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.9 pt -129.27 162.67 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.128 -0.693 . . . . 99.99 109.128 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -119.51 131.47 55.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.53 0.205 . . . . 99.99 110.776 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.7 t -113.68 112.05 38.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.882 -0.414 . . . . 99.99 109.882 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -99.65 131.0 45.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.397 -0.365 . . . . 99.99 111.045 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 55.2 p -96.39 175.27 6.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.445 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.2 mt -72.29 -15.42 61.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.965 0.412 . . . . 99.99 110.703 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.59 10.41 30.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.868 -0.605 . . . . 99.99 111.147 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.24 -38.75 3.06 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.014 -0.612 . . . . 99.99 112.375 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.441 ' HZ2' ' CD ' ' B' ' 34' ' ' GLU . 76.6 tttt -46.4 115.12 0.94 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.11 0.564 . . . . 99.99 111.254 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -108.64 119.55 39.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.939 -0.573 . . . . 99.99 109.713 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 pt -104.98 155.77 6.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.968 0.413 . . . . 99.99 111.405 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.46 142.78 30.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.716 -0.675 . . . . 99.99 109.185 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 tp -139.51 139.52 36.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.008 0.432 . . . . 99.99 111.703 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -99.18 107.94 20.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.535 -0.757 . . . . 99.99 109.568 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 m -137.66 168.71 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.023 -0.535 . . . . 99.99 110.2 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -125.14 154.69 71.68 Favored Pre-proline 0 C--N 1.319 -0.757 0 N-CA-C 109.147 -0.686 . . . . 99.99 109.147 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -52.0 -29.08 34.5 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.671 2.247 . . . . 10.0 113.034 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.31 -0.74 47.02 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.433 -0.349 . . . . 99.99 111.933 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.7 140.58 40.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.71 0.29 . . . . 99.99 110.316 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 8.3 p -87.5 151.02 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.257 -0.645 . . . . 99.99 109.257 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.8 mm -58.33 -33.19 46.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.051 0.453 . . . . 99.99 110.244 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -43.61 98.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.727 -0.67 . . . . 99.99 110.142 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -69.65 -34.64 74.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 99.99 109.987 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.64 -44.14 96.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.896 -0.593 . . . . 99.99 109.582 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.487 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 95.0 mttt -60.65 -42.05 96.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.922 -0.581 . . . . 99.99 110.361 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.82 92.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.79 -0.641 . . . . 99.99 110.316 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -65.17 -35.47 81.18 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.219 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.1 mt -69.41 -41.72 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.247 -0.649 . . . . 99.99 109.247 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -64.8 -28.36 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.061 -0.518 . . . . 99.99 110.477 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.93 -34.06 77.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.813 -0.631 . . . . 99.99 112.191 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -106.63 -40.32 5.57 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.667 0.988 . . . . 99.99 113.667 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.441 ' CD ' ' HZ2' ' B' ' 11' ' ' LYS . 37.2 mm-40 -89.16 -30.89 18.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.943 0.349 . . . . 99.99 111.943 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.67 -10.92 73.52 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.625 -0.797 . . . . 99.99 113.025 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mt -63.55 119.5 54.29 Favored Pre-proline 0 C--N 1.33 -0.258 0 C-N-CA 122.282 0.233 . . . . 99.99 111.089 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -65.04 139.84 63.06 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.779 2.319 . . . . 10.0 111.528 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.23 -24.18 40.57 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.351 2.7 . . . . 10.0 112.974 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.66 -26.53 67.84 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.295 0.569 . . . . 99.99 110.498 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -109.28 16.32 22.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 99.99 110.862 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -104.49 108.52 20.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.536 . . . . 99.99 111.601 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -110.13 91.84 3.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.167 -0.679 . . . . 99.99 109.167 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 38.3 mt -82.07 119.9 24.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.928 -0.578 . . . . 99.99 111.943 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -119.45 132.24 69.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 115.637 -0.711 . . . . 99.99 110.188 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -149.19 134.12 18.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 99.99 109.914 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.19 37.17 26.23 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.145 0.498 . . . . 99.99 111.255 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.3 58.41 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.469 -0.787 . . . . 99.99 113.453 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -122.81 159.32 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.694 0.283 . . . . 99.99 110.859 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -92.43 134.44 34.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.335 -0.393 . . . . 99.99 110.065 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 60.2 mt -81.5 108.32 14.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.445 -0.343 . . . . 99.99 110.624 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -73.93 134.13 43.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.199 -0.455 . . . . 99.99 110.276 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.487 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 3.5 m-20 -52.53 -41.49 63.54 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.284 0.846 . . . . 99.99 113.284 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.75 -4.59 71.48 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.992 -0.623 . . . . 99.99 113.788 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -96.7 157.05 16.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.862 0.363 . . . . 99.99 110.432 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.5 p -102.54 174.4 5.91 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.721 -0.474 . . . . 99.99 109.721 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.95 -35.5 81.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 99.99 110.831 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.0 m -68.6 -22.0 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.314 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.67 -36.4 82.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.96 0.409 . . . . 99.99 110.991 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -104.09 10.87 35.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.97 -0.559 . . . . 99.99 110.665 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 56.52 52.48 9.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.64 0.733 . . . . 99.99 110.498 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.6 mt -96.01 110.46 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.575 -0.739 . . . . 99.99 110.098 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.92 -167.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.265 -0.643 . . . . 99.99 109.265 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -82.12 161.66 22.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.613 -0.435 . . . . 99.99 110.587 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 74.95 4.9 4.33 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.683 0.614 . . . . 99.99 112.114 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -78.16 140.22 38.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.27 -0.423 . . . . 99.99 110.906 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -104.17 107.69 18.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.01 0.433 . . . . 99.99 110.741 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 45.3 mt -84.74 148.82 26.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.017 -0.538 . . . . 99.99 109.869 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -104.8 114.79 29.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.82 -0.437 . . . . 99.99 109.82 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -98.96 107.21 19.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.1 0.476 . . . . 99.99 111.471 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.3 t -97.76 135.42 32.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.855 -0.612 . . . . 99.99 109.372 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.27 134.09 34.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.748 0.308 . . . . 99.99 111.398 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 99.99 110.69 179.743 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.707 0.289 . . . . 99.99 111.291 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -32.0 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.946 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 43.6 ttm -57.77 -45.15 86.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 99.99 110.96 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.08 -35.28 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.058 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.83 -44.29 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.581 . . . . 99.99 110.374 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.44 -35.71 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.189 0.519 . . . . 99.99 109.756 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -65.58 -50.5 64.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.619 -0.718 . . . . 99.99 109.904 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.29 -33.82 76.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.937 -0.574 . . . . 99.99 110.473 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.8 tp -60.65 -51.36 69.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.861 -0.609 . . . . 99.99 109.516 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.59 -37.89 87.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.749 -0.659 . . . . 99.99 110.435 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.69 -40.38 87.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 99.99 111.365 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 mt -87.58 -28.05 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.618 0.599 . . . . 99.99 112.618 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -77.12 -40.55 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.964 -0.294 . . . . 99.99 111.694 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -75.9 -20.15 58.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.149 0.5 . . . . 99.99 110.672 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -140.06 73.36 32.6 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.624 -0.716 . . . . 99.99 109.743 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.82 145.7 22.92 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.797 2.331 . . . . 10.0 113.237 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -79.29 152.86 24.01 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 123.153 2.569 . . . . 10.0 110.733 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -62.82 -21.21 72.89 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.954 2.436 . . . . 10.0 112.621 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -99.31 7.78 45.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.487 0.551 . . . . 99.99 112.487 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 tp -139.77 114.01 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.774 0.321 . . . . 99.99 111.041 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.96 164.33 25.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.346 -0.388 . . . . 99.99 111.407 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 64.95 29.64 12.24 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.923 -0.58 . . . . 99.99 111.296 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.24 102.93 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.944 -0.571 . . . . 99.99 110.74 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.67 144.94 49.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.036 -0.529 . . . . 99.99 110.451 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.69 161.74 28.28 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 99.99 109.533 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.42 152.63 29.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.097 0.475 . . . . 99.99 110.91 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.91 -19.52 51.64 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.125 -0.489 . . . . 99.99 111.829 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.62 -42.79 3.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.854 0.359 . . . . 99.99 111.361 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -106.31 154.53 20.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.022 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 p -103.67 -15.57 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.247 0.546 . . . . 99.99 110.753 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.4 mt -93.22 7.89 42.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.857 -0.61 . . . . 99.99 110.879 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.1 t -120.18 120.77 63.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.178 -0.464 . . . . 99.99 109.973 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -108.65 150.89 26.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.835 0.35 . . . . 99.99 111.075 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -133.69 124.31 26.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.45 -0.944 . . . . 99.99 108.45 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.39 164.5 35.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.969 0.414 . . . . 99.99 111.735 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.9 mt -106.84 124.65 49.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.706 -0.679 . . . . 99.99 110.347 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.3 tp -90.98 136.29 33.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.94 -0.573 . . . . 99.99 109.592 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mp -113.24 89.73 15.08 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.603 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.69 146.14 48.09 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.548 2.165 . . . . 10.0 110.637 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.98 -34.26 10.5 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 111.627 0.232 . . . . 99.99 111.627 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -59.73 119.82 44.01 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.037 -0.529 . . . . 99.99 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.56 146.46 96.92 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.561 2.174 . . . . 10.0 110.791 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -94.66 19.63 34.44 Favored 'Cis proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.666 -1.389 . . . . 10.0 112.717 0.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -70.14 -5.49 27.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.017 0.437 . . . . 99.99 111.115 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -79.0 -20.22 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.971 -0.559 . . . . 99.99 110.414 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.19 -47.47 76.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.695 0.628 . . . . 99.99 112.695 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -124.07 -170.69 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.791 0.329 . . . . 99.99 111.347 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.23 164.86 19.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.365 -0.606 . . . . 99.99 109.365 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -130.03 141.84 50.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.654 0.264 . . . . 99.99 111.063 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -91.79 137.96 31.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.143 -0.481 . . . . 99.99 110.032 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -127.67 152.5 47.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.949 0.404 . . . . 99.99 111.057 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -117.84 117.94 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 99.99 110.631 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.5 mt -100.39 111.85 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.053 -0.721 . . . . 99.99 109.053 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.73 111.68 23.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.775 0.322 . . . . 99.99 111.383 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -88.13 127.13 58.53 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.332 -0.395 . . . . 99.99 110.376 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -77.93 152.55 28.48 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.424 2.083 . . . . 10.0 111.466 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.43 -20.11 67.09 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.799 2.333 . . . . 10.0 112.664 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.93 10.05 17.46 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.722 0.296 . . . . 99.99 111.507 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -60.1 142.4 89.49 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.917 -0.401 . . . . 99.99 109.917 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -96.67 22.07 27.05 Favored 'Cis proline' 0 N--CA 1.459 -0.52 0 C-N-CA 124.297 -1.126 . . . . 10.0 113.607 0.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -78.55 -18.13 55.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.294 0.568 . . . . 99.99 110.359 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.8 130.16 24.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.386 -0.825 . . . . 99.99 108.806 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.68 143.29 96.39 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.022 2.481 . . . . 10.0 112.985 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.91 140.3 38.05 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.581 2.187 . . . . 10.0 111.57 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mtm -93.17 101.81 14.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.212 -0.449 . . . . 99.99 110.655 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mt -106.68 129.57 59.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.036 -0.529 . . . . 99.99 110.241 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -140.19 162.45 35.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.197 -0.456 . . . . 99.99 109.799 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -86.94 137.61 32.22 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.146 -0.316 . . . . 99.99 110.146 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.17 2.81 43.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.309 -0.405 . . . . 99.99 110.943 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.85 161.59 25.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.169 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -81.77 90.46 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 99.99 111.092 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.7 tt -105.21 116.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.142 0.496 . . . . 99.99 110.961 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.2 87.5 6.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.08 -0.509 . . . . 99.99 110.613 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -126.21 136.82 29.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.926 -0.579 . . . . 99.99 109.547 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.1 -16.37 21.1 Favored 'Trans proline' 0 N--CA 1.477 0.536 0 C-N-CA 123.296 2.664 . . . . 10.0 113.826 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -115.34 21.37 14.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.646 0.26 . . . . 99.99 110.89 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.6 t -133.57 136.21 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 99.99 110.215 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.98 161.48 24.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.809 -0.632 . . . . 99.99 110.559 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -58.37 -30.63 66.93 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.703 0.631 . . . . 99.99 112.703 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -89.43 -0.68 57.66 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.012 0.434 . . . . 99.99 111.344 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.2 15.23 48.79 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.79 -0.719 . . . . 99.99 112.583 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -78.0 140.51 39.18 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.988 -0.745 . . . . 99.99 108.988 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.9 pt -134.13 170.47 19.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.866 0.365 . . . . 99.99 111.33 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.9 m -127.67 116.11 19.78 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.128 -1.064 . . . . 99.99 108.128 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.4 tp -131.2 109.83 15.21 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.752 0.31 . . . . 99.99 110.835 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.34 -30.49 63.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.553 2.836 . . . . 10.0 113.939 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.9 tt -68.02 -25.18 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.058 0.392 . . . . 99.99 112.058 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.6 pt -117.18 25.19 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 121.24 0.543 . . . . 99.99 110.706 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.9 p -74.84 159.85 31.4 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.73 -0.668 . . . . 99.99 109.354 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m -82.51 7.67 13.79 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.126 0.489 . . . . 99.99 110.286 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -42.78 3.44 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.984 -0.553 . . . . 99.99 111.132 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.2 32.78 5.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.364 -0.38 . . . . 99.99 112.006 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -77.53 136.39 38.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.223 0.535 . . . . 99.99 111.683 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -126.31 113.97 23.51 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.414 -0.958 . . . . 99.99 108.414 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.4 -23.14 53.7 Favored 'Trans proline' 0 N--CA 1.475 0.398 0 C-N-CA 123.391 2.727 . . . . 10.0 113.42 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.9 p -72.09 -21.64 61.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.279 -0.418 . . . . 99.99 111.495 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -73.94 132.2 42.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.357 -0.383 . . . . 99.99 111.003 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -102.23 166.44 10.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.119 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -57.22 -29.24 63.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.63 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.22 76.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.051 0.453 . . . . 99.99 110.764 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -78.6 -34.33 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 99.99 110.735 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.77 -48.6 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.997 -0.547 . . . . 99.99 110.614 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.47 -32.5 73.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.104 0.478 . . . . 99.99 110.941 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.64 -49.28 66.73 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.865 -0.607 . . . . 99.99 110.01 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.92 86.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.847 -0.615 . . . . 99.99 110.255 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.66 -47.02 87.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.846 -0.616 . . . . 99.99 109.786 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -37.94 75.51 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.891 -0.595 . . . . 99.99 110.573 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.48 -47.76 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.594 . . . . 99.99 110.669 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.19 -25.27 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.192 0.441 . . . . 99.99 112.192 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 63.8 t -74.02 -47.24 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.995 -0.372 . . . . 99.99 109.995 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -74.94 -36.38 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 99.99 110.664 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -114.94 91.74 27.74 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.058 -0.519 . . . . 99.99 109.994 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.33 123.64 11.78 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.608 2.205 . . . . 10.0 112.314 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -79.51 108.77 13.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 99.99 110.518 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 30.3 pt -83.62 -10.85 11.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.541 . . . . 99.99 111.659 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.0 mtp-105 -72.47 -51.34 20.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.214 0.53 . . . . 99.99 109.605 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -125.41 79.97 66.1 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.572 -0.74 . . . . 99.99 109.552 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -93.7 159.28 2.34 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.815 2.343 . . . . 10.0 112.099 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.74 -29.27 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.499 0.666 . . . . 99.99 109.286 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -120.45 105.2 10.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.408 -0.815 . . . . 99.99 110.193 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -33.07 75.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.276 -0.42 . . . . 99.99 110.384 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -63.35 -47.35 82.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.511 . . . . 99.99 111.406 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.78 -39.39 66.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.213 -0.448 . . . . 99.99 111.798 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.5 94.01 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.056 0.455 . . . . 99.99 110.505 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.66 -51.96 59.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.705 -0.68 . . . . 99.99 110.118 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 48.5 tp -57.58 -39.94 77.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 99.99 111.3 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 tp -58.87 -39.5 81.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.316 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m -84.13 -33.61 24.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.011 -0.541 . . . . 99.99 111.562 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -71.76 -46.89 57.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.409 -0.359 . . . . 99.99 111.866 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -147.59 95.34 4.29 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.431 -0.349 . . . . 99.99 110.39 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.83 -36.94 99.06 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.998 2.465 . . . . 10.0 112.197 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -68.68 -44.69 73.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 99.99 111.089 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.98 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.076 0.465 . . . . 99.99 110.154 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -65.81 -41.65 91.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.669 -0.696 . . . . 99.99 109.843 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -59.78 -44.44 93.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.838 -0.619 . . . . 99.99 110.752 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.01 -41.47 90.95 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.737 0.303 . . . . 99.99 110.807 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -61.08 -49.95 75.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 99.99 109.832 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.64 75.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.668 -0.696 . . . . 99.99 111.203 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.05 -43.94 95.03 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.931 0.396 . . . . 99.99 109.983 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.51 -48.55 81.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.701 -0.681 . . . . 99.99 109.93 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -42.75 99.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.017 -0.538 . . . . 99.99 111.741 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.9 m -62.97 -39.06 93.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 99.99 111.585 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 75.0 mt -89.02 3.93 50.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.132 0.492 . . . . 99.99 111.353 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -110.67 -47.95 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.486 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -123.13 29.58 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.68 0.276 . . . . 99.99 111.28 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -103.8 151.97 17.74 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.554 -0.832 . . . . 99.99 112.18 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.2 t -87.14 148.97 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.274 -0.639 . . . . 99.99 109.274 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -55.79 133.44 51.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.711 0.291 . . . . 99.99 110.946 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 99.99 110.087 -179.827 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.829 0.347 . . . . 99.99 110.575 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -86.61 130.09 34.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.32 -0.4 . . . . 99.99 110.955 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.6 pt -127.25 172.52 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.527 -0.546 . . . . 99.99 109.527 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -123.02 134.6 54.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.903 0.382 . . . . 99.99 111.009 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 32.1 t -117.66 110.57 31.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.436 -0.579 . . . . 99.99 109.436 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -100.99 130.79 47.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.093 0.473 . . . . 99.99 111.261 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -91.95 171.47 9.1 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.66 -0.7 . . . . 99.99 110.047 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 48.1 mt -72.49 -13.68 61.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.919 0.39 . . . . 99.99 111.083 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -0.37 57.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.988 -0.551 . . . . 99.99 111.389 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.4 -17.77 58.31 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.92 -0.657 . . . . 99.99 113.35 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.475 ' HZ2' ' CD ' ' B' ' 34' ' ' GLU . 81.9 tttt -67.91 113.8 5.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.778 0.323 . . . . 99.99 110.455 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -105.29 114.66 28.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.151 -0.477 . . . . 99.99 109.717 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 27.2 pt -103.52 144.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.064 -0.516 . . . . 99.99 111.048 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.5 137.01 32.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.795 -0.639 . . . . 99.99 109.517 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 tp -133.67 136.98 45.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.812 0.339 . . . . 99.99 110.771 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -109.58 113.68 26.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.36 0.6 . . . . 99.99 110.378 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.7 m -132.92 -177.29 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.61 -0.723 . . . . 99.99 110.29 -178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -131.35 160.64 66.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.733 -0.469 . . . . 99.99 109.733 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.37 -25.82 67.67 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.804 2.336 . . . . 10.0 112.795 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.93 9.96 33.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.453 . . . . 99.99 111.654 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -83.82 138.13 33.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.246 -0.279 . . . . 99.99 110.246 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.43 150.56 22.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.285 -0.416 . . . . 99.99 110.57 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.1 mm -56.69 -38.11 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 99.99 110.88 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -60.42 -42.31 95.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 99.99 110.468 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.89 -34.93 76.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 99.99 109.924 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.7 t -60.76 -43.24 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.176 -0.676 . . . . 99.99 109.176 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.504 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 93.2 mttt -60.68 -42.67 97.58 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.532 -0.758 . . . . 99.99 110.105 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.35 84.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.803 -0.635 . . . . 99.99 110.782 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -64.59 -38.43 90.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 99.99 110.579 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.71 -36.47 70.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 99.99 110.039 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -65.56 -25.84 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 99.99 110.783 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.98 -51.49 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.083 -0.508 . . . . 99.99 111.645 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -78.77 -44.23 23.76 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.74 1.015 . . . . 99.99 113.74 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.475 ' CD ' ' HZ2' ' B' ' 11' ' ' LYS . 40.4 mm-40 -88.99 -53.1 4.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.774 0.321 . . . . 99.99 111.695 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.36 -9.26 20.15 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.468 -0.873 . . . . 99.99 112.535 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -68.29 123.27 87.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.471 -0.196 . . . . 99.99 110.471 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.37 141.55 92.83 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.947 2.431 . . . . 10.0 112.141 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.53 -25.89 61.04 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.577 2.851 . . . . 10.0 113.153 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -67.99 -33.28 74.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.394 0.616 . . . . 99.99 110.483 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -95.89 5.5 51.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.704 -0.68 . . . . 99.99 110.796 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -95.98 106.14 18.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.976 -0.556 . . . . 99.99 111.58 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -107.03 93.91 4.81 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.509 -0.552 . . . . 99.99 109.509 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.7 mt -84.33 121.53 27.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 99.99 112.176 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mm -116.85 131.94 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 99.99 109.653 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -141.05 125.89 18.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.474 -0.33 . . . . 99.99 110.74 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 35.31 25.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.849 -0.614 . . . . 99.99 111.487 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.14 3.12 68.41 Favored Glycine 0 CA--C 1.519 0.289 0 CA-C-N 115.653 -0.703 . . . . 99.99 112.864 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -110.93 145.9 37.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.767 0.318 . . . . 99.99 110.619 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -89.9 125.71 35.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.203 -0.453 . . . . 99.99 109.916 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 mt -75.2 126.31 30.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.281 -0.418 . . . . 99.99 111.273 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -85.97 134.0 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 99.99 110.175 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.504 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 1.0 OUTLIER -50.79 -43.17 58.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.547 0.573 . . . . 99.99 112.547 -179.277 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.56 24.04 11.18 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.712 -0.756 . . . . 99.99 113.804 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -114.15 162.99 15.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.021 0.41 . . . . 99.99 109.899 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.82 160.55 15.16 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.837 -0.431 . . . . 99.99 109.837 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 mt -63.34 -22.13 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 99.99 110.649 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -31.27 68.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.74 -0.664 . . . . 99.99 111.243 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -60.58 -38.69 85.43 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.937 0.399 . . . . 99.99 111.454 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -97.49 5.87 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.189 -0.46 . . . . 99.99 110.986 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 56.58 50.38 12.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.475 -0.784 . . . . 99.99 110.784 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.7 mt -84.23 111.7 20.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.653 -0.703 . . . . 99.99 110.26 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -92.15 -168.66 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.701 -0.681 . . . . 99.99 110.181 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -77.72 155.4 31.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.231 -0.441 . . . . 99.99 110.998 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 65.23 17.12 10.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.563 0.949 . . . . 99.99 113.563 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -77.27 150.82 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.353 -0.61 . . . . 99.99 109.353 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -113.04 112.1 23.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.244 0.545 . . . . 99.99 111.993 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.9 mt -93.01 143.62 26.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.688 -0.687 . . . . 99.99 109.518 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -100.33 123.28 44.36 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.901 -0.407 . . . . 99.99 109.901 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 tp -100.67 106.62 18.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.025 0.441 . . . . 99.99 111.747 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 50.4 t -94.27 126.92 46.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.212 -0.662 . . . . 99.99 109.212 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 tp -77.25 111.34 12.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 99.99 110.835 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.399 179.783 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.78 0.324 . . . . 99.99 111.232 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -61.19 -30.19 70.27 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 112.054 0.39 . . . . 99.99 112.054 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.5 mtt -57.1 -40.23 76.6 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.855 0.359 . . . . 99.99 110.873 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -80.01 -36.52 35.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.788 -0.449 . . . . 99.99 109.788 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.2 t -56.19 -51.22 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.658 -0.701 . . . . 99.99 110.803 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.11 -33.28 57.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.949 0.404 . . . . 99.99 110.509 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -68.97 -50.24 50.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 99.99 110.186 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.79 -39.31 88.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.14 -0.482 . . . . 99.99 110.56 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 tp -61.85 -46.92 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 99.99 109.528 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -61.56 -39.28 90.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.438 -0.801 . . . . 99.99 110.228 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -61.11 -48.31 82.25 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 99.99 110.675 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.6 mt -71.17 -27.21 63.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.619 -0.719 . . . . 99.99 112.032 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -79.67 -28.7 40.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 99.99 111.339 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -75.29 -42.41 54.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.201 0.525 . . . . 99.99 109.741 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -127.81 80.23 72.36 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.545 -0.752 . . . . 99.99 109.053 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.62 140.6 29.84 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.76 2.306 . . . . 10.0 113.196 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -72.54 147.58 46.27 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.806 2.338 . . . . 10.0 110.396 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.56 -34.73 90.88 Favored 'Trans proline' 0 N--CA 1.473 0.299 0 C-N-CA 122.746 2.297 . . . . 10.0 112.913 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -88.99 -1.08 57.94 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.887 0.699 . . . . 99.99 112.887 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.4 tp -126.21 110.64 13.67 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.766 -0.373 . . . . 99.99 110.77 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -125.95 156.96 38.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.484 -0.326 . . . . 99.99 111.715 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.13 32.6 12.55 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.83 -0.623 . . . . 99.99 112.675 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.4 tp -73.57 111.42 8.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.025 0.44 . . . . 99.99 110.917 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.12 154.84 47.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.923 -0.581 . . . . 99.99 110.692 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.62 154.44 28.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.253 -0.43 . . . . 99.99 109.976 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.21 143.99 57.47 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.935 -0.394 . . . . 99.99 109.935 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.62 -30.94 71.73 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.564 0.579 . . . . 99.99 112.564 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.65 -49.41 4.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.01 0.374 . . . . 99.99 112.01 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -115.43 114.04 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.884 0.373 . . . . 99.99 111.896 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.23 -17.07 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.101 -0.499 . . . . 99.99 111.86 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.75 -2.09 41.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 99.99 111.74 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.5 t -114.85 121.44 66.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 110.0 -0.37 . . . . 99.99 110.0 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 48.0 m0 -103.93 142.55 34.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.912 0.387 . . . . 99.99 110.782 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -122.96 124.47 43.26 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.003 -0.74 . . . . 99.99 109.003 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.65 161.57 42.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.812 0.339 . . . . 99.99 111.413 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.89 123.88 49.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.822 -0.626 . . . . 99.99 110.215 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.4 tp -93.06 130.63 38.6 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.364 -0.606 . . . . 99.99 109.364 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mp -118.2 92.47 42.84 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.34 -0.391 . . . . 99.99 111.309 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.18 146.91 47.03 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.488 2.125 . . . . 10.0 110.362 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -95.3 -21.38 18.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.118 0.485 . . . . 99.99 110.929 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -78.35 123.9 85.72 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.003 -0.544 . . . . 99.99 110.944 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.62 154.42 65.22 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.617 2.212 . . . . 10.0 111.282 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -89.66 7.99 66.78 Favored 'Cis proline' 0 N--CA 1.463 -0.298 0 C-N-CA 123.72 -1.367 . . . . 10.0 112.619 0.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -70.46 -4.61 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.957 0.408 . . . . 99.99 111.058 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.12 -6.7 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.392 0.516 . . . . 99.99 112.392 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.4 mt -84.11 -33.17 24.38 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.183 0.438 . . . . 99.99 112.183 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -131.35 -167.22 1.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.545 -0.298 . . . . 99.99 110.679 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.98 160.22 35.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.705 -0.48 . . . . 99.99 109.705 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -125.26 141.69 51.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.704 0.288 . . . . 99.99 110.943 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -93.62 128.0 39.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.005 0.431 . . . . 99.99 110.856 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -111.26 146.54 36.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.817 -0.629 . . . . 99.99 110.98 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.95 109.94 18.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 99.99 110.512 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.4 mt -94.47 119.45 42.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.025 -0.534 . . . . 99.99 109.641 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.14 108.9 17.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.698 0.285 . . . . 99.99 111.566 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -84.42 129.2 58.63 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.394 -0.366 . . . . 99.99 110.33 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.85 156.34 20.67 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.491 2.127 . . . . 10.0 111.447 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.78 -12.94 37.98 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.529 2.153 . . . . 10.0 112.188 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.31 14.38 24.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.339 -0.391 . . . . 99.99 111.425 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -65.48 145.3 99.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.563 -0.532 . . . . 99.99 109.563 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -94.21 15.49 42.96 Favored 'Cis proline' 0 C--N 1.345 0.378 0 C-N-CA 124.346 -1.106 . . . . 10.0 113.177 0.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -70.01 -32.74 71.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.308 -0.627 . . . . 99.99 109.308 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 132.36 20.95 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.16 -0.927 . . . . 99.99 109.368 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.25 141.81 58.28 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.793 2.329 . . . . 10.0 112.871 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -71.92 137.41 29.38 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.54 2.16 . . . . 10.0 111.514 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.7 mtm -88.72 106.69 18.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.915 0.388 . . . . 99.99 111.202 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.2 mt -104.24 126.89 58.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.062 -0.517 . . . . 99.99 109.825 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -136.36 164.86 27.13 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.992 -0.373 . . . . 99.99 109.992 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -94.56 136.22 35.11 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.148 -0.315 . . . . 99.99 110.148 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 m -89.66 -38.99 13.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.642 0.734 . . . . 99.99 109.454 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.69 153.89 23.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.387 -0.824 . . . . 99.99 109.94 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -82.56 106.13 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.967 0.413 . . . . 99.99 111.573 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.3 tt -109.75 120.85 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.934 -0.575 . . . . 99.99 110.857 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.03 83.47 5.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.108 -0.496 . . . . 99.99 110.458 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -126.32 137.38 30.16 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.859 -0.61 . . . . 99.99 109.413 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.24 -9.43 10.48 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.256 2.638 . . . . 10.0 113.907 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -119.47 19.73 12.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.719 0.295 . . . . 99.99 110.764 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.4 t -134.6 136.32 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 99.99 109.791 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -87.26 160.61 18.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.366 -0.379 . . . . 99.99 110.28 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -62.53 -21.01 65.22 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.332 0.864 . . . . 99.99 113.332 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -89.66 0.15 57.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.606 . . . . 99.99 110.254 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.82 15.6 57.74 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.339 -0.704 . . . . 99.99 111.339 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -81.23 143.47 32.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.728 0.299 . . . . 99.99 110.283 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.1 pt -141.11 179.46 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.345 -0.389 . . . . 99.99 110.428 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.2 m -134.06 113.05 11.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.772 -0.649 . . . . 99.99 109.486 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -118.38 107.44 43.19 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.49 -0.323 . . . . 99.99 110.834 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.47 -18.34 45.93 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 123.127 2.552 . . . . 10.0 112.615 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.9 tt -75.27 -25.4 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.565 -0.289 . . . . 99.99 111.5 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.6 pt -127.15 28.27 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.366 0.603 . . . . 99.99 110.141 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.4 p -84.07 161.85 20.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.481 -0.781 . . . . 99.99 110.646 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -19.39 63.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.027 0.441 . . . . 99.99 110.344 179.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.47 -34.23 21.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.924 -0.58 . . . . 99.99 110.782 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -140.51 111.84 7.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 99.99 111.263 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -155.78 137.99 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.905 -0.589 . . . . 99.99 109.721 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -130.92 120.81 18.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.634 -0.506 . . . . 99.99 109.634 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.82 -17.99 53.72 Favored 'Trans proline' 0 N--CA 1.476 0.45 0 C-N-CA 123.131 2.554 . . . . 10.0 112.699 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.98 -9.92 59.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 99.99 111.446 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.2 m -85.24 136.08 33.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.047 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -97.21 160.26 14.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.408 -0.36 . . . . 99.99 110.658 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.2 m -58.86 -28.35 66.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.371 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.28 -32.29 69.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.99 -0.55 . . . . 99.99 110.714 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -84.37 -32.57 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 99.99 110.537 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.51 -45.27 93.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 99.99 109.859 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.84 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.709 -0.678 . . . . 99.99 110.457 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.33 -48.36 67.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.802 -0.636 . . . . 99.99 109.597 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.56 82.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.75 -0.659 . . . . 99.99 110.046 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.6 tp -61.87 -47.42 85.1 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.807 -0.633 . . . . 99.99 110.021 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -59.8 -37.59 79.56 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.894 -0.594 . . . . 99.99 110.929 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.02 -45.67 96.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.496 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.14 -27.19 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.712 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.2 t -74.67 -50.27 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.725 0.298 . . . . 99.99 110.828 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -71.92 -33.06 67.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.33 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -114.72 93.86 34.99 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 99.99 110.029 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.6 126.43 16.8 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 122.847 2.365 . . . . 10.0 112.562 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -84.64 102.76 13.18 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 pt -86.1 -8.46 11.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.888 0.375 . . . . 99.99 111.206 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.2 -43.17 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.669 -0.863 . . . . 99.99 108.669 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -126.3 74.55 73.15 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.03 -0.987 . . . . 99.99 109.418 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -97.56 171.04 0.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.761 2.308 . . . . 10.0 112.747 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.8 mp -101.8 -28.78 12.24 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.975 -0.75 . . . . 99.99 108.975 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -120.26 95.62 4.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.335 -0.848 . . . . 99.99 109.51 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -58.08 -31.37 67.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.854 -0.612 . . . . 99.99 111.782 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -65.5 -48.79 71.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 99.99 111.069 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.4 mp -70.91 -31.22 67.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 99.99 110.616 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.6 -51.98 50.4 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.087 -0.506 . . . . 99.99 111.435 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.09 -35.68 81.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.699 0.285 . . . . 99.99 110.85 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.29 -44.02 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 99.99 110.748 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.7 tp -66.28 -29.24 69.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 99.99 111.018 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 m -80.65 -34.18 35.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.096 0.474 . . . . 99.99 110.373 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -75.71 -65.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 99.99 111.081 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -131.6 98.43 18.09 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.087 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.34 -42.27 70.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 123.159 2.573 . . . . 10.0 112.958 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -61.78 -40.15 94.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.583 -0.281 . . . . 99.99 111.728 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.21 -46.53 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 99.99 110.144 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -69.29 -40.16 77.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.756 -0.656 . . . . 99.99 109.849 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -55.48 -48.75 74.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.524 -0.762 . . . . 99.99 111.028 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -66.75 -43.85 83.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 99.99 110.835 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -59.14 -44.56 92.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 99.99 110.613 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.67 -33.21 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.045 -0.525 . . . . 99.99 111.106 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -64.3 -44.74 90.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.807 0.337 . . . . 99.99 110.3 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.15 -40.15 80.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.792 -0.64 . . . . 99.99 109.802 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.6 -44.52 70.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.476 -0.784 . . . . 99.99 110.668 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.4 m -63.5 -38.6 91.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.633 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.08 -13.09 60.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.431 0.53 . . . . 99.99 112.431 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -108.36 -45.81 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.71 0.633 . . . . 99.99 112.71 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -107.14 18.48 21.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.032 0.382 . . . . 99.99 112.032 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -105.63 151.37 17.1 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.451 -0.881 . . . . 99.99 112.733 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.6 t -85.32 154.78 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.928 -0.767 . . . . 99.99 108.928 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.43 149.28 39.0 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.242 0.46 . . . . 99.99 112.242 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.58 -0.736 . . . . 99.99 111.783 -178.917 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.72 0.295 . . . . 99.99 110.323 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -95.89 130.82 42.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.059 0.457 . . . . 99.99 111.481 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 pt -124.48 161.22 28.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.811 -0.632 . . . . 99.99 109.734 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -111.32 131.43 55.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.588 0.232 . . . . 99.99 110.639 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -114.69 115.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.441 -0.577 . . . . 99.99 109.441 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -103.5 123.43 46.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.365 -0.38 . . . . 99.99 110.935 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.8 p -92.95 168.66 11.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.072 -0.513 . . . . 99.99 110.066 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.32 -16.59 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.048 0.451 . . . . 99.99 111.435 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.67 -1.63 57.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.87 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.08 -15.7 58.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.995 -0.621 . . . . 99.99 112.01 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -64.24 111.48 2.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.932 0.396 . . . . 99.99 109.948 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -102.63 118.76 37.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.789 -0.641 . . . . 99.99 109.795 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 31.1 pt -109.47 160.08 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.361 -0.381 . . . . 99.99 110.826 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.8 144.6 33.21 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.362 -0.607 . . . . 99.99 109.362 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 tp -137.24 139.16 40.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.618 0.247 . . . . 99.99 110.702 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -106.61 98.49 8.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.534 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 m -132.29 176.03 9.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.174 -0.466 . . . . 99.99 110.132 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -118.33 158.26 47.12 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.999 -0.371 . . . . 99.99 109.999 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -54.92 -31.36 73.19 Favored 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 122.658 2.239 . . . . 10.0 112.934 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.55 1.01 23.92 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.282 0.475 . . . . 99.99 112.282 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.37 137.7 41.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.606 0.241 . . . . 99.99 110.664 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.6 148.56 27.09 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.463 -0.569 . . . . 99.99 109.463 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.8 mm -55.72 -36.45 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.665 0.269 . . . . 99.99 111.259 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -37.61 88.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.546 -0.297 . . . . 99.99 110.941 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -69.56 -37.96 77.22 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.409 -0.589 . . . . 99.99 109.409 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.89 -44.16 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.569 -0.741 . . . . 99.99 109.485 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.89 -43.11 90.92 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.858 -0.61 . . . . 99.99 110.661 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.56 90.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 99.99 110.955 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -68.18 -32.13 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 99.99 111.068 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 98.9 mt -69.18 -40.07 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.127 -0.694 . . . . 99.99 109.127 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -67.59 -25.28 65.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.301 0.572 . . . . 99.99 109.97 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.46 -39.35 94.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.668 -0.697 . . . . 99.99 111.591 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -99.84 -43.72 6.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.916 1.08 . . . . 99.99 113.916 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -89.94 -26.23 20.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.838 0.681 . . . . 99.99 112.838 -178.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 6.83 85.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.649 -0.786 . . . . 99.99 113.179 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.8 mt -76.16 120.7 82.81 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 122.722 -0.281 . . . . 99.99 110.617 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -59.05 134.54 60.43 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.989 2.46 . . . . 10.0 112.207 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.38 -18.22 59.68 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.089 2.526 . . . . 10.0 112.619 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -19.25 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.996 0.427 . . . . 99.99 111.377 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -120.48 15.57 12.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.212 0.529 . . . . 99.99 110.676 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -93.56 111.4 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.442 -0.799 . . . . 99.99 110.903 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -110.1 95.82 5.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.922 0.391 . . . . 99.99 110.053 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 35.4 mt -83.98 121.83 27.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.991 -0.549 . . . . 99.99 111.691 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.3 mm -117.11 131.7 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.87 -0.605 . . . . 99.99 110.495 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -136.12 120.26 17.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.401 -0.363 . . . . 99.99 110.103 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.95 27.11 14.25 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.444 0.465 . . . . 99.99 111.714 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.13 -5.3 85.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.152 -0.547 . . . . 99.99 112.634 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -97.75 145.26 26.54 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.793 -0.24 . . . . 99.99 110.369 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -86.29 125.67 33.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.586 -0.524 . . . . 99.99 109.586 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 44.5 mt -77.0 110.54 11.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.008 0.432 . . . . 99.99 111.264 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.04 130.38 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.83 -0.623 . . . . 99.99 110.621 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.45 -37.0 35.95 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.376 0.88 . . . . 99.99 113.376 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.07 11.98 51.99 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.087 -0.577 . . . . 99.99 114.423 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -115.9 161.74 18.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.265 0.532 . . . . 99.99 110.718 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -102.85 171.72 7.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.249 -0.432 . . . . 99.99 109.973 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 77.5 mt -66.77 -31.03 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.884 0.374 . . . . 99.99 110.135 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -30.18 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.793 -0.64 . . . . 99.99 111.128 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -64.4 -39.0 93.01 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.993 0.425 . . . . 99.99 111.177 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -92.7 2.94 56.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.961 -0.563 . . . . 99.99 111.742 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 60.87 49.96 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.372 0.606 . . . . 99.99 110.793 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.2 mt -93.52 121.46 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.625 -0.716 . . . . 99.99 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -104.96 177.05 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.907 -0.588 . . . . 99.99 109.6 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -67.51 160.08 28.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.394 -0.225 . . . . 99.99 110.394 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.36 11.01 7.69 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.114 0.783 . . . . 99.99 113.114 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.0 m -83.74 143.51 29.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.591 -0.522 . . . . 99.99 109.591 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -101.63 115.02 29.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.983 0.421 . . . . 99.99 111.973 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.9 mt -93.05 147.3 22.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.712 -0.847 . . . . 99.99 108.712 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -103.32 122.19 44.29 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 121.031 -0.268 . . . . 99.99 110.336 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 44.2 tp -101.73 99.73 10.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.061 0.458 . . . . 99.99 110.729 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 38.5 t -91.38 124.61 43.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.752 -0.658 . . . . 99.99 109.869 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 mp -82.21 116.73 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.397 . . . . 99.99 110.372 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.052 -0.522 . . . . 99.99 110.427 -179.724 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.74 0.305 . . . . 99.99 111.264 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -55.02 -36.14 65.16 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.651 0.611 . . . . 99.99 112.651 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 ttm -53.49 -46.4 70.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.473 -0.331 . . . . 99.99 111.588 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -74.53 -32.41 62.47 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.637 -0.425 . . . . 99.99 110.957 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.46 -40.77 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.917 -0.401 . . . . 99.99 109.917 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.82 -39.69 86.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 109.641 -0.503 . . . . 99.99 109.641 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -64.7 -48.46 74.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.904 -0.589 . . . . 99.99 110.33 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.35 -41.07 92.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.842 -0.617 . . . . 99.99 110.063 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.94 -52.58 63.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.684 -0.689 . . . . 99.99 110.229 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -58.94 -39.56 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.901 -0.591 . . . . 99.99 111.404 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.57 -47.87 82.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.751 -0.658 . . . . 99.99 110.524 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.6 mt -80.38 -16.82 53.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.754 -0.657 . . . . 99.99 112.152 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -71.51 -45.96 60.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.009 0.433 . . . . 99.99 110.164 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -82.97 -26.36 31.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.868 -0.605 . . . . 99.99 111.328 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -129.47 79.51 73.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 99.99 110.861 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -89.93 132.76 1.99 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.353 2.702 . . . . 10.0 112.343 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -66.84 145.46 74.84 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.523 2.149 . . . . 10.0 111.145 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.6 -10.18 10.87 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.364 2.709 . . . . 10.0 113.959 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -105.31 5.59 32.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.864 0.32 . . . . 99.99 111.864 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 tp -140.32 112.02 7.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.022 0.439 . . . . 99.99 111.239 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -125.4 172.47 9.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.136 -0.484 . . . . 99.99 110.591 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 m120 61.63 22.05 12.62 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.638 0.586 . . . . 99.99 111.429 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.89 108.76 1.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.921 -0.582 . . . . 99.99 110.814 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.53 157.74 45.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.106 -0.497 . . . . 99.99 110.214 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.87 164.45 19.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.477 -0.329 . . . . 99.99 110.123 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -71.46 146.08 48.84 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.596 -0.52 . . . . 99.99 109.596 179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.65 -28.09 67.42 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.616 0.598 . . . . 99.99 112.616 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.06 -11.67 14.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.28 0.844 . . . . 99.99 113.28 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -146.21 130.42 17.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.964 0.411 . . . . 99.99 111.441 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.97 -14.02 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.164 0.507 . . . . 99.99 110.25 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.3 mt -87.38 11.68 13.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.93 -0.577 . . . . 99.99 111.44 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.4 t -130.72 124.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.371 -0.603 . . . . 99.99 109.371 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -110.04 150.61 28.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.84 0.352 . . . . 99.99 111.37 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -131.81 123.59 27.9 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.365 -0.976 . . . . 99.99 108.365 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.53 162.03 41.41 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.882 0.372 . . . . 99.99 111.635 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 mt -107.12 121.47 44.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.68 -0.691 . . . . 99.99 109.983 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.6 tp -88.47 131.78 34.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.902 -0.59 . . . . 99.99 109.793 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mp -114.15 90.16 19.23 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.084 -0.507 . . . . 99.99 110.95 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.95 158.34 58.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.348 2.032 . . . . 10.0 110.373 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -109.54 -30.47 7.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.681 0.277 . . . . 99.99 111.414 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -61.58 126.61 87.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 99.99 110.495 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.98 143.49 60.5 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.596 2.198 . . . . 10.0 111.249 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -98.99 24.05 20.63 Favored 'Cis proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.903 -1.29 . . . . 10.0 112.188 0.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -67.23 -18.21 65.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 99.99 111.421 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -82.54 4.84 22.89 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.39 0.515 . . . . 99.99 112.39 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.34 -31.56 54.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 99.99 110.165 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -139.98 -167.25 2.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 99.99 110.233 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.47 159.04 37.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.744 -0.465 . . . . 99.99 109.744 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -124.7 139.35 53.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.691 0.281 . . . . 99.99 110.911 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -93.68 135.69 34.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.487 -0.324 . . . . 99.99 110.602 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 pp -122.87 152.73 40.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.045 -0.525 . . . . 99.99 111.151 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -118.01 114.66 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.979 -0.555 . . . . 99.99 110.217 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.7 mt -96.94 119.89 45.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.012 -0.54 . . . . 99.99 109.909 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -110.17 109.24 19.66 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.213 -0.449 . . . . 99.99 110.724 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -84.31 126.12 70.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.196 -0.456 . . . . 99.99 110.777 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.96 147.45 68.05 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.282 1.988 . . . . 10.0 111.101 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.47 -22.08 70.48 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.836 2.357 . . . . 10.0 112.194 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -96.29 15.45 21.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.644 -0.253 . . . . 99.99 111.472 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -56.71 139.82 76.01 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 109.779 -0.452 . . . . 99.99 109.779 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -97.16 24.06 23.29 Favored 'Cis proline' 0 N--CA 1.459 -0.518 0 C-N-CA 124.306 -1.122 . . . . 10.0 113.629 0.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -71.81 -19.3 62.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.31 0.576 . . . . 99.99 109.823 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -119.69 147.38 43.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.14 -0.937 . . . . 99.99 108.986 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.08 135.67 23.4 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.381 2.054 . . . . 10.0 112.864 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -71.99 123.57 9.39 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.541 2.16 . . . . 10.0 110.891 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 75.9 mtm -81.3 117.5 21.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.036 0.446 . . . . 99.99 111.193 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.2 mt -116.63 126.15 73.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.817 -0.629 . . . . 99.99 109.6 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -135.98 161.64 35.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.997 -0.371 . . . . 99.99 109.997 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -88.41 141.1 28.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.774 0.321 . . . . 99.99 110.412 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.48 -23.21 17.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.453 0.644 . . . . 99.99 109.61 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.74 152.16 22.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.373 -0.831 . . . . 99.99 109.895 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -78.48 118.04 20.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 99.99 111.568 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.1 tt -123.39 121.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.882 -0.599 . . . . 99.99 110.588 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.44 84.56 3.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.119 0.485 . . . . 99.99 111.048 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -128.94 137.58 31.31 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.666 -0.697 . . . . 99.99 109.221 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.6 -7.04 8.15 Favored 'Trans proline' 0 N--CA 1.478 0.58 0 C-N-CA 123.026 2.484 . . . . 10.0 113.835 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -119.84 20.55 12.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.735 0.302 . . . . 99.99 110.709 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.7 t -132.85 141.12 45.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.267 -0.424 . . . . 99.99 110.274 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.58 164.12 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.111 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -55.92 -35.58 66.76 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.953 0.723 . . . . 99.99 112.953 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.42 -3.79 58.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.863 0.32 . . . . 99.99 111.863 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.15 13.73 44.67 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.683 -0.77 . . . . 99.99 112.795 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.65 146.07 34.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.807 0.303 . . . . 99.99 110.366 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.49 173.48 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.407 -0.361 . . . . 99.99 110.965 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 2.3 m -133.6 113.22 12.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.02 -0.537 . . . . 99.99 109.83 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.94 115.44 33.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.337 -0.392 . . . . 99.99 111.062 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.88 -20.49 52.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.0 2.467 . . . . 10.0 112.243 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.3 tt -71.59 -30.83 40.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.468 -0.333 . . . . 99.99 111.484 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.5 pt -113.22 14.03 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 99.99 111.005 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.9 p -71.61 144.91 49.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.028 -0.533 . . . . 99.99 110.391 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -22.62 64.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.01 0.433 . . . . 99.99 111.136 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -88.95 4.49 47.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.03 -0.532 . . . . 99.99 111.807 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -165.8 47.21 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.521 0.563 . . . . 99.99 112.521 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -100.4 132.29 45.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.867 0.365 . . . . 99.99 111.086 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -123.4 123.24 26.55 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.112 -0.699 . . . . 99.99 109.112 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.51 -18.38 59.43 Favored 'Trans proline' 0 N--CA 1.474 0.375 0 C-N-CA 123.22 2.614 . . . . 10.0 113.032 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 -16.98 59.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.002 0.43 . . . . 99.99 111.617 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.42 135.52 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 99.99 110.755 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -89.57 153.64 20.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.941 -0.392 . . . . 99.99 109.941 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.3 m -58.37 -29.64 66.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.089 0.403 . . . . 99.99 112.089 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 p -62.3 -35.88 80.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.782 0.325 . . . . 99.99 111.122 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -70.21 -35.51 73.93 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.092 0.473 . . . . 99.99 110.185 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.9 -46.09 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.705 -0.68 . . . . 99.99 109.56 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.58 -33.22 75.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 99.99 110.197 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -65.09 -49.08 71.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.85 -0.613 . . . . 99.99 109.524 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.31 84.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.753 -0.658 . . . . 99.99 110.236 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.11 -48.91 79.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 99.99 109.766 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -58.59 -40.61 83.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.944 -0.571 . . . . 99.99 110.67 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.4 t -64.03 -44.4 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.042 -0.526 . . . . 99.99 110.431 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.29 -29.66 69.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.404 -0.362 . . . . 99.99 111.93 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.6 t -74.08 -49.97 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.574 -0.285 . . . . 99.99 110.852 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -73.13 -33.76 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.928 0.394 . . . . 99.99 111.459 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -115.16 93.24 34.6 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.767 -0.457 . . . . 99.99 109.767 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.02 144.02 86.47 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.808 2.338 . . . . 10.0 112.999 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -107.32 105.25 15.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.545 -0.752 . . . . 99.99 110.115 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.9 pt -86.61 -10.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 99.99 111.148 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.0 mtp-105 -74.39 -40.62 61.94 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.2 -0.667 . . . . 99.99 109.2 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -131.51 74.14 78.73 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.707 -0.849 . . . . 99.99 108.707 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -92.86 159.31 2.75 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.699 2.266 . . . . 10.0 112.435 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.1 mp -91.98 -28.78 17.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.967 -0.753 . . . . 99.99 108.967 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -123.85 103.82 8.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.287 -0.87 . . . . 99.99 110.33 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.7 tpt -64.25 -31.92 73.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 99.99 110.697 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -63.01 -48.71 77.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 99.99 111.166 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.78 -35.06 67.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.386 -0.37 . . . . 99.99 111.149 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.42 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 99.99 110.616 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.47 -42.26 99.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.423 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 34.9 tp -56.81 -47.67 79.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.878 -0.601 . . . . 99.99 111.323 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.24 -28.54 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.716 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.9 m -83.02 -32.35 26.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.357 -0.383 . . . . 99.99 111.154 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -80.99 -44.69 17.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 99.99 110.928 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -148.39 96.95 3.84 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.699 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -57.6 -37.71 96.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.964 2.443 . . . . 10.0 111.971 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -67.6 -41.01 84.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.368 . . . . 99.99 111.068 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.61 -43.59 98.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 99.99 110.223 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -67.98 -39.02 83.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 99.99 109.513 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -60.47 -37.82 82.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.39 -0.823 . . . . 99.99 110.58 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -64.48 -48.19 76.13 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.033 0.444 . . . . 99.99 109.861 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -60.43 -42.98 97.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.581 -0.736 . . . . 99.99 110.252 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.5 90.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.682 -0.69 . . . . 99.99 111.295 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.46 -52.27 65.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.516 -0.311 . . . . 99.99 110.649 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -57.53 -44.62 85.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.846 -0.615 . . . . 99.99 110.761 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.02 -48.37 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.736 -0.666 . . . . 99.99 111.597 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.9 m -65.45 -40.1 92.83 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.143 0.423 . . . . 99.99 112.143 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.74 -13.09 60.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.056 0.761 . . . . 99.99 113.056 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -113.42 -42.45 3.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.063 0.764 . . . . 99.99 113.063 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -101.74 -0.26 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.768 0.655 . . . . 99.99 112.768 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -93.9 155.73 22.12 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.396 -0.907 . . . . 99.99 112.78 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 38.7 t -82.48 145.25 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 108.29 -1.004 . . . . 99.99 108.29 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -56.42 142.18 39.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 99.99 111.61 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.579 -0.737 . . . . 99.99 110.448 -179.212 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.115 -0.328 . . . . 99.99 110.115 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -96.74 124.86 40.85 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.816 0.341 . . . . 99.99 111.636 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 pt -111.17 167.19 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.747 -0.464 . . . . 99.99 109.747 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -121.9 114.95 21.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.773 0.32 . . . . 99.99 111.082 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -100.21 114.37 38.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.469 -0.567 . . . . 99.99 109.469 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -105.35 132.16 51.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.973 0.416 . . . . 99.99 110.835 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.4 p -97.33 169.98 9.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.892 -0.595 . . . . 99.99 110.858 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 29.9 mt -71.36 -6.94 43.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 99.99 111.501 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.25 0.79 54.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.175 0.512 . . . . 99.99 110.903 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.76 -14.87 61.93 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 99.99 112.734 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.542 ' HZ2' ' CD ' ' B' ' 34' ' ' GLU . 85.1 tttt -70.84 126.54 29.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.77 0.319 . . . . 99.99 110.529 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -114.71 130.13 56.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.375 -0.375 . . . . 99.99 110.086 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 18.9 pt -118.16 137.98 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 99.99 111.529 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.45 140.7 29.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.648 -0.705 . . . . 99.99 109.715 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 tp -143.48 126.69 16.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.828 0.346 . . . . 99.99 111.262 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -92.51 113.33 25.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.068 0.461 . . . . 99.99 110.34 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.71 177.19 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.616 -0.72 . . . . 99.99 109.537 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -131.1 157.91 76.71 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.061 -0.348 . . . . 99.99 110.061 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -52.66 -32.98 57.16 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.957 2.438 . . . . 10.0 113.014 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.23 0.05 12.98 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.518 0.562 . . . . 99.99 112.518 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.93 141.18 28.91 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.09 -0.337 . . . . 99.99 110.09 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.7 150.5 22.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.109 -0.33 . . . . 99.99 110.109 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -54.68 -38.03 41.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.69 0.281 . . . . 99.99 111.106 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -59.81 -45.95 90.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.544 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -65.87 -35.78 81.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.431 . . . . 99.99 110.378 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.83 -44.46 99.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.758 -0.655 . . . . 99.99 110.191 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.488 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 90.4 mttt -59.22 -41.45 88.66 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.16 -0.473 . . . . 99.99 110.827 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.02 83.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 99.99 110.297 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -68.44 -34.32 75.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 99.99 110.762 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.86 -43.04 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.956 -0.565 . . . . 99.99 109.854 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -63.34 -27.66 69.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 99.99 111.122 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.52 -46.44 72.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.971 -0.559 . . . . 99.99 111.861 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -86.83 -41.2 14.23 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.964 0.727 . . . . 99.99 112.964 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.542 ' CD ' ' HZ2' ' B' ' 11' ' ' LYS . 26.7 tp10 -86.63 -67.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.875 0.369 . . . . 99.99 110.686 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.86 -14.98 5.18 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.364 -0.922 . . . . 99.99 112.946 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.3 mt -64.09 120.7 66.49 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.407 0.146 . . . . 99.99 110.992 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.76 148.85 90.57 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.112 2.541 . . . . 10.0 112.193 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.71 -27.95 84.97 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.117 2.545 . . . . 10.0 112.651 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.88 -21.62 63.31 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.516 0.674 . . . . 99.99 110.612 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -107.17 10.02 30.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.854 -0.612 . . . . 99.99 111.33 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -101.82 99.71 9.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.976 0.417 . . . . 99.99 112.119 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -104.97 91.25 3.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.7 -0.482 . . . . 99.99 109.7 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 mt -80.89 123.76 28.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 99.99 111.703 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 25.0 mm -116.02 128.17 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.684 . . . . 99.99 109.956 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -144.91 135.88 24.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.229 -0.442 . . . . 99.99 109.991 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.45 26.83 16.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.038 0.446 . . . . 99.99 111.829 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.29 8.31 87.71 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.861 -0.685 . . . . 99.99 113.391 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -133.24 164.35 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.265 0.532 . . . . 99.99 111.674 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -83.73 150.27 25.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.928 -0.578 . . . . 99.99 110.953 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.4 mt -97.64 112.81 24.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.782 -0.644 . . . . 99.99 110.578 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -71.75 135.88 46.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.179 -0.464 . . . . 99.99 109.806 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.488 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 13.0 m-20 -59.48 -24.44 63.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.495 0.554 . . . . 99.99 112.495 -179.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.42 -6.13 81.34 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.854 -0.689 . . . . 99.99 113.047 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -93.97 160.39 14.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.342 . . . . 99.99 110.442 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 80.6 p -103.3 176.81 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.781 -0.822 . . . . 99.99 108.781 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 mt -68.55 -26.43 65.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.217 0.532 . . . . 99.99 110.004 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -27.61 61.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.587 -0.733 . . . . 99.99 110.715 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.84 -31.13 71.36 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.339 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -107.23 9.24 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.038 -0.528 . . . . 99.99 112.071 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 56.05 50.76 13.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.215 0.531 . . . . 99.99 111.385 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.5 mt -88.46 123.46 40.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 99.99 110.528 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -100.5 -179.08 3.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 99.99 110.537 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -72.19 150.25 43.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.431 -0.35 . . . . 99.99 110.78 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 67.71 12.07 8.67 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.891 0.7 . . . . 99.99 112.891 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -77.54 133.17 38.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.752 0.311 . . . . 99.99 110.487 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -89.74 130.08 36.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 99.99 110.873 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.1 mt -108.83 144.16 37.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.389 -0.597 . . . . 99.99 109.389 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -97.27 115.84 28.38 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.599 -0.273 . . . . 99.99 110.372 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 tp -100.7 105.31 16.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.164 0.506 . . . . 99.99 111.25 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 41.7 t -89.53 127.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.771 -0.65 . . . . 99.99 109.648 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 70.5 mt -76.9 113.65 14.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.351 -0.386 . . . . 99.99 110.735 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 99.99 111.203 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.631 0.253 . . . . 99.99 111.269 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -58.99 -32.88 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.241 0.46 . . . . 99.99 112.241 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 55.4 ttm -56.8 -43.61 81.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.359 . . . . 99.99 111.262 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -69.57 -36.33 76.18 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.863 -0.421 . . . . 99.99 109.863 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.57 -45.59 93.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.781 -0.645 . . . . 99.99 110.521 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.45 -40.22 87.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.922 0.391 . . . . 99.99 110.212 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -66.55 -45.37 79.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.19 -0.459 . . . . 99.99 110.542 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.04 -38.0 89.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 99.99 110.212 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.23 -49.42 77.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.913 -0.585 . . . . 99.99 110.108 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -60.51 -41.69 94.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 99.99 110.905 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -60.24 -50.66 72.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.844 -0.616 . . . . 99.99 111.042 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.3 mt -74.03 -22.77 59.43 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.964 0.727 . . . . 99.99 112.964 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -79.79 -41.54 26.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.945 0.402 . . . . 99.99 111.104 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -76.48 -30.48 57.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.172 -0.467 . . . . 99.99 110.403 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -130.51 75.95 78.24 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.953 -0.567 . . . . 99.99 109.745 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -91.58 147.95 3.41 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.3 2.667 . . . . 10.0 113.114 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.2 151.52 49.26 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.546 2.164 . . . . 10.0 110.9 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.47 -21.06 70.92 Favored 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 123.075 2.516 . . . . 10.0 113.243 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -95.11 8.93 41.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.62 0.6 . . . . 99.99 112.62 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.8 tp -141.24 122.63 14.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.93 0.395 . . . . 99.99 111.004 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -135.7 169.24 17.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.313 -0.403 . . . . 99.99 110.611 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 64.56 21.05 12.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.309 -0.405 . . . . 99.99 112.086 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 tp -65.94 107.79 1.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.123 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.91 165.04 29.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.71 -0.677 . . . . 99.99 110.054 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -174.43 4.3 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.149 -0.315 . . . . 99.99 110.149 179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -84.14 162.74 20.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.153 -0.314 . . . . 99.99 110.153 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.96 -31.42 72.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.192 -0.458 . . . . 99.99 112.162 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -135.46 16.26 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.796 0.295 . . . . 99.99 111.796 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -144.83 139.61 27.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.097 0.475 . . . . 99.99 111.537 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.58 -17.08 6.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 99.99 110.352 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -89.79 5.93 43.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 99.99 111.126 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.3 t -123.9 115.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.681 -0.488 . . . . 99.99 109.681 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -101.08 145.55 28.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.018 0.437 . . . . 99.99 111.141 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -126.95 126.05 42.56 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.661 -0.866 . . . . 99.99 108.661 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.41 160.45 41.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.88 0.371 . . . . 99.99 111.812 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.8 mt -107.14 120.11 41.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.613 -0.721 . . . . 99.99 109.599 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -90.88 134.1 34.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.097 -0.501 . . . . 99.99 109.758 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.94 92.18 29.5 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.185 -0.462 . . . . 99.99 110.343 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.57 152.2 82.49 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.521 2.148 . . . . 10.0 111.824 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -98.93 -35.16 10.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.062 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.81 125.61 90.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.933 -0.576 . . . . 99.99 111.31 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -67.43 150.18 80.6 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.729 2.286 . . . . 10.0 110.608 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -92.85 16.04 44.62 Favored 'Cis proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.678 -1.384 . . . . 10.0 112.22 0.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -65.18 -21.47 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 99.99 111.178 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -73.0 -4.84 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.479 0.548 . . . . 99.99 112.479 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -80.57 -27.23 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.633 0.254 . . . . 99.99 111.198 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -136.89 -168.5 2.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 99.99 111.144 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.94 161.58 31.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.05 -0.352 . . . . 99.99 110.05 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.94 136.67 49.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.627 -0.261 . . . . 99.99 110.82 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -91.01 132.61 35.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.561 -0.29 . . . . 99.99 110.835 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -118.84 151.36 38.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 99.99 111.296 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.46 114.46 22.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.899 -0.591 . . . . 99.99 109.894 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.7 mt -95.81 117.35 39.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.618 -0.512 . . . . 99.99 109.618 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.9 111.3 23.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.337 -0.392 . . . . 99.99 111.233 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -89.52 129.1 48.35 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.323 -0.399 . . . . 99.99 110.269 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.17 151.35 26.74 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.831 2.354 . . . . 10.0 110.912 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.89 -18.77 62.92 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.664 2.243 . . . . 10.0 112.794 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.45 16.65 8.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.784 0.326 . . . . 99.99 111.484 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -61.91 142.27 95.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.671 -0.492 . . . . 99.99 109.671 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -96.16 21.67 28.42 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 124.263 -1.14 . . . . 10.0 113.16 0.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -75.65 -19.48 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.448 0.642 . . . . 99.99 109.791 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -113.86 136.31 22.09 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.277 -0.874 . . . . 99.99 109.34 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.85 136.17 27.12 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.86 2.374 . . . . 10.0 112.865 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.33 128.05 14.98 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.692 2.261 . . . . 10.0 111.411 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.7 mtm -84.81 109.3 17.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.097 -0.502 . . . . 99.99 110.78 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.6 mt -107.13 123.61 62.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.142 -0.481 . . . . 99.99 110.115 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -132.85 157.73 44.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.357 -0.383 . . . . 99.99 110.11 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -85.11 130.8 34.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.666 -0.494 . . . . 99.99 109.666 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.88 -33.72 24.73 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.201 -0.454 . . . . 99.99 109.956 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.08 148.49 22.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.43 -0.805 . . . . 99.99 109.961 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -72.69 121.68 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 99.99 111.408 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.5 tt -125.72 127.21 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 99.99 110.743 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -82.74 84.35 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.043 0.449 . . . . 99.99 110.52 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -131.65 132.4 23.37 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.157 -0.683 . . . . 99.99 109.157 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.23 -13.28 15.59 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.108 2.539 . . . . 10.0 114.025 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -105.38 3.93 30.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.368 0.604 . . . . 99.99 110.808 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.34 144.32 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.147 -0.478 . . . . 99.99 110.164 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.55 168.4 10.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.253 -0.43 . . . . 99.99 111.001 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.79 -31.15 70.53 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.519 0.563 . . . . 99.99 112.519 -179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -75.18 -29.79 60.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.183 0.516 . . . . 99.99 110.676 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.32 13.17 7.71 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.81 -0.709 . . . . 99.99 112.344 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -86.96 153.87 21.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.84 0.352 . . . . 99.99 110.544 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.8 pt -133.71 -167.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.688 -0.687 . . . . 99.99 109.723 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.5 m -140.63 91.41 2.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.074 -0.512 . . . . 99.99 109.888 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -103.14 107.93 57.08 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.955 -0.566 . . . . 99.99 110.312 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -58.18 -22.95 59.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.632 2.221 . . . . 10.0 111.859 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.3 tt -72.32 -29.62 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.97 -0.559 . . . . 99.99 111.772 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.2 pt -106.97 17.55 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 121.107 0.48 . . . . 99.99 111.263 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.0 p -78.97 144.61 34.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.014 -0.736 . . . . 99.99 109.014 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.87 0.22 6.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.942 0.401 . . . . 99.99 111.734 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -93.48 -32.45 14.18 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.094 -0.503 . . . . 99.99 111.609 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -134.22 33.07 3.37 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.036 0.754 . . . . 99.99 113.036 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -79.84 133.85 36.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.249 0.547 . . . . 99.99 111.279 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -120.33 122.86 28.52 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.795 -0.639 . . . . 99.99 109.759 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.88 -18.44 56.81 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.953 2.435 . . . . 10.0 112.575 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.9 p -82.12 -0.1 43.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 99.99 111.521 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -87.69 130.49 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.828 0.346 . . . . 99.99 110.166 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -93.73 156.14 16.85 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.458 -0.571 . . . . 99.99 109.458 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.7 m -57.24 -29.48 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 99.99 111.693 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.54 -40.45 83.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 99.99 111.01 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.6 -35.01 67.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 99.99 110.328 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -65.38 -44.67 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.875 -0.602 . . . . 99.99 110.143 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.54 -36.05 82.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.711 -0.677 . . . . 99.99 110.825 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -65.67 -44.94 84.75 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.925 -0.398 . . . . 99.99 109.925 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.59 84.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 99.99 110.391 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 62.4 tp -62.65 -45.68 91.71 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.784 -0.643 . . . . 99.99 110.517 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.45 -38.16 76.95 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.041 0.448 . . . . 99.99 110.181 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.99 -45.76 98.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.049 -0.523 . . . . 99.99 110.329 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.47 -28.86 68.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.91 0.386 . . . . 99.99 111.613 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.9 t -72.65 -51.5 27.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.419 -0.355 . . . . 99.99 110.526 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.48 -32.53 68.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 99.99 111.03 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -115.18 92.5 31.84 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.414 . . . . 99.99 110.064 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.61 110.36 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.681 2.254 . . . . 10.0 111.918 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -68.45 108.41 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 99.99 110.726 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 pt -88.28 -8.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 99.99 111.495 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -74.36 -55.16 6.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.696 -0.483 . . . . 99.99 109.696 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -127.01 79.25 73.22 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.573 -0.739 . . . . 99.99 109.999 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -97.67 171.07 0.73 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.978 2.452 . . . . 10.0 112.041 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.5 mp -92.05 -33.65 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.593 0.711 . . . . 99.99 109.115 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -112.77 94.91 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.185 -0.916 . . . . 99.99 109.753 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 96.0 mtp -62.96 -27.54 69.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.598 -0.728 . . . . 99.99 111.057 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -67.92 -45.44 74.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.889 -0.596 . . . . 99.99 110.709 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.7 mp -71.24 -38.31 71.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 99.99 110.784 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.8 86.86 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.132 -0.485 . . . . 99.99 110.364 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.18 -40.1 86.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 99.99 110.915 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.5 tp -57.03 -45.6 83.01 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 99.99 110.25 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.73 -26.08 66.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.843 -0.617 . . . . 99.99 110.788 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.1 m -78.72 -39.52 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.104 -0.498 . . . . 99.99 110.487 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -75.85 -53.12 8.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.355 -0.384 . . . . 99.99 111.405 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -145.95 101.19 4.21 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 99.99 110.502 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -62.64 -35.39 70.16 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 123.062 2.508 . . . . 10.0 112.265 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -66.95 -40.92 87.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 99.99 110.961 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.66 -42.2 98.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.425 . . . . 99.99 110.198 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -69.52 -38.38 77.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.74 -0.663 . . . . 99.99 110.01 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -58.23 -41.52 84.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.547 -0.751 . . . . 99.99 111.338 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -62.73 -46.14 89.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 99.99 110.906 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -63.34 -47.68 81.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 99.99 110.56 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.37 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.871 -0.604 . . . . 99.99 110.989 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.35 -51.4 68.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 99.99 110.461 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.19 -43.65 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 99.99 110.403 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.46 -43.2 97.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.957 -0.565 . . . . 99.99 110.79 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 32.2 m -65.87 -43.25 88.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.054 -0.521 . . . . 99.99 111.648 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 29.2 mt -83.21 8.81 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.132 0.419 . . . . 99.99 112.132 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -125.62 -49.8 1.63 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.924 0.342 . . . . 99.99 111.924 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -97.31 -22.34 16.71 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.314 0.486 . . . . 99.99 112.314 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -77.5 172.16 55.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.96 -0.638 . . . . 99.99 113.062 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.25 158.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.141 -0.689 . . . . 99.99 109.141 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -63.11 155.84 26.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.029 0.442 . . . . 99.99 111.758 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.097 -0.501 . . . . 99.99 110.361 -179.505 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.4 ptt? . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 109.695 -0.483 . . . . 99.99 109.695 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -85.22 118.75 24.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.785 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -126.07 168.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.278 -0.638 . . . . 99.99 109.278 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -126.71 131.73 51.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 99.99 111.713 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.55 123.29 67.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.19 -0.67 . . . . 99.99 109.19 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -107.63 131.86 53.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.555 -0.293 . . . . 99.99 110.894 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -91.69 173.28 7.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.459 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.6 -18.45 65.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.352 -0.386 . . . . 99.99 111.641 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.88 -4.78 57.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.852 0.358 . . . . 99.99 111.258 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.85 -13.92 65.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.821 -0.704 . . . . 99.99 112.423 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -60.85 110.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.866 -0.42 . . . . 99.99 109.866 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.24 129.84 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.768 0.318 . . . . 99.99 110.805 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.2 pt -121.54 144.75 29.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.415 -0.357 . . . . 99.99 110.773 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -91.04 142.81 27.37 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.542 -0.54 . . . . 99.99 109.542 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -137.02 138.69 40.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.493 -0.321 . . . . 99.99 110.499 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -107.78 98.87 8.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 99.99 109.961 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.12 153.6 24.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.221 -0.445 . . . . 99.99 110.421 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -99.86 159.67 29.31 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.995 -0.372 . . . . 99.99 109.995 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -55.26 -26.31 51.31 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.513 2.142 . . . . 10.0 112.245 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -3.17 41.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.84 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.63 130.33 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.093 -0.336 . . . . 99.99 110.093 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.73 150.62 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.167 -0.469 . . . . 99.99 109.928 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 mm -57.81 -38.75 67.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 99.99 110.655 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.01 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.006 0.431 . . . . 99.99 110.02 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -67.13 -35.49 79.84 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.344 -0.613 . . . . 99.99 109.344 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.56 -48.22 85.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.56 -0.745 . . . . 99.99 109.238 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.26 -44.81 80.08 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.871 -0.604 . . . . 99.99 110.46 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.66 80.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.466 -0.788 . . . . 99.99 111.129 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -74.08 -28.8 61.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.007 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.4 mt -70.05 -39.39 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.386 -0.598 . . . . 99.99 109.386 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -70.11 -21.41 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 99.99 110.064 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.98 -42.01 70.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 99.99 110.599 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.55 -52.27 5.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.763 0.653 . . . . 99.99 112.763 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -82.12 -57.73 3.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.771 0.32 . . . . 99.99 111.386 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.73 -0.02 19.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.516 -0.849 . . . . 99.99 112.723 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -70.13 124.28 90.43 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.547 -0.168 . . . . 99.99 110.547 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.38 132.38 48.39 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.015 2.477 . . . . 10.0 111.896 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.29 -28.69 73.09 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.433 2.755 . . . . 10.0 112.992 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.63 -22.36 64.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.233 0.54 . . . . 99.99 110.716 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -105.13 6.56 33.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.651 -0.704 . . . . 99.99 110.636 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -97.29 107.64 20.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.579 . . . . 99.99 111.695 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -107.76 96.79 6.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.199 -0.667 . . . . 99.99 109.199 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 35.2 mt -83.27 119.34 24.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.929 -0.578 . . . . 99.99 111.91 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.4 mm -114.77 131.15 67.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.648 -0.705 . . . . 99.99 109.961 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -149.88 136.96 19.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.165 -0.471 . . . . 99.99 109.927 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.64 31.27 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.695 0.622 . . . . 99.99 111.014 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.02 8.69 78.94 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.491 -0.777 . . . . 99.99 113.359 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -123.61 170.21 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.882 0.372 . . . . 99.99 111.026 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -98.16 132.44 43.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.996 -0.547 . . . . 99.99 110.082 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 60.2 mt -79.29 109.42 13.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.089 -0.505 . . . . 99.99 110.502 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -74.31 130.38 39.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 99.99 110.853 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -52.19 -33.32 40.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.435 0.902 . . . . 99.99 113.435 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.63 -10.28 85.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 99.99 113.744 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -96.0 165.52 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.987 0.393 . . . . 99.99 111.439 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 10.5 p -108.37 173.75 6.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.141 -0.481 . . . . 99.99 110.042 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.67 -30.71 71.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 99.99 111.013 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -28.42 68.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 99.99 111.197 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -64.72 -26.71 68.48 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.659 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.04 10.45 24.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.499 -0.319 . . . . 99.99 111.661 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 60.12 37.57 20.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.856 -0.611 . . . . 99.99 111.183 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.2 mt -79.15 127.45 39.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.088 -0.505 . . . . 99.99 110.519 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -118.18 -169.99 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.319 -0.623 . . . . 99.99 109.319 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -74.42 157.12 36.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.289 -0.264 . . . . 99.99 110.289 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 68.82 11.87 8.47 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.856 0.687 . . . . 99.99 112.856 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.5 m -81.07 146.68 30.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.652 0.263 . . . . 99.99 110.657 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.41 116.85 32.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.315 -0.402 . . . . 99.99 111.156 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.5 mt -94.64 146.53 24.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.359 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -100.9 117.17 34.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.536 -0.542 . . . . 99.99 109.536 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.6 tp -101.49 101.27 11.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.08 0.466 . . . . 99.99 111.408 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 43.1 t -91.93 122.26 43.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.77 -0.65 . . . . 99.99 109.492 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.36 113.61 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.385 -0.371 . . . . 99.99 110.969 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.977 -0.556 . . . . 99.99 110.299 179.718 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.555 0.217 . . . . 99.99 111.408 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.34 -31.77 67.9 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.307 -0.406 . . . . 99.99 111.999 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.8 ttm -55.87 -44.67 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.394 . . . . 99.99 111.365 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -74.73 -37.13 62.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.515 -0.311 . . . . 99.99 110.246 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.2 t -58.09 -47.14 87.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 99.99 110.777 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.79 -37.78 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.115 0.483 . . . . 99.99 110.107 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -64.65 -49.34 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 99.99 110.241 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.08 -35.53 75.39 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.038 -0.528 . . . . 99.99 110.052 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.3 tp -63.02 -50.1 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.743 -0.662 . . . . 99.99 109.395 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.43 -43.14 99.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.04 -0.527 . . . . 99.99 110.817 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -57.09 -46.58 82.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.636 -0.711 . . . . 99.99 111.355 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.9 mt -84.33 -16.78 41.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.056 0.762 . . . . 99.99 113.056 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -39.68 23.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.893 0.378 . . . . 99.99 110.875 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -80.57 -27.95 37.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 99.99 110.689 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -134.67 77.66 57.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 99.99 109.842 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -87.9 148.54 7.02 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.928 2.419 . . . . 10.0 113.105 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.11 158.45 30.33 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.559 2.173 . . . . 10.0 110.468 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.72 -29.43 59.78 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.727 2.284 . . . . 10.0 112.893 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -82.6 1.34 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.213 0.82 . . . . 99.99 113.213 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.2 tp -134.56 122.96 23.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.651 0.262 . . . . 99.99 110.699 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -131.26 154.08 48.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.894 0.378 . . . . 99.99 111.888 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.7 t30 59.72 38.71 21.61 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.341 -0.845 . . . . 99.99 112.629 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.5 tp -72.11 106.72 4.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.327 -0.397 . . . . 99.99 110.721 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -136.17 154.36 50.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.398 -0.365 . . . . 99.99 110.373 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 m -78.56 174.51 11.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.708 0.29 . . . . 99.99 110.408 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -71.57 158.18 36.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.237 -0.438 . . . . 99.99 110.614 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.3 -39.51 83.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.575 -0.739 . . . . 99.99 112.976 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.9 -6.54 9.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.538 0.94 . . . . 99.99 113.538 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -132.54 120.39 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.04 0.448 . . . . 99.99 111.978 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -75.55 -14.27 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 99.99 110.659 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.5 mt -83.04 5.28 22.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.36 -0.382 . . . . 99.99 111.217 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.98 125.64 68.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.568 -0.53 . . . . 99.99 109.568 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -111.67 145.83 38.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.995 0.426 . . . . 99.99 111.659 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -127.32 124.86 39.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.914 -1.143 . . . . 99.99 107.914 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.66 161.71 42.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.965 0.412 . . . . 99.99 111.66 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.96 120.98 43.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.787 -0.642 . . . . 99.99 109.978 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.2 tp -92.25 133.18 36.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.58 . . . . 99.99 109.435 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.39 93.25 48.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.312 -0.403 . . . . 99.99 111.325 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.04 170.2 20.19 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.717 2.278 . . . . 10.0 110.446 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -122.11 -0.43 9.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.185 0.517 . . . . 99.99 111.687 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -81.32 120.32 78.03 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.582 -0.525 . . . . 99.99 109.582 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -60.2 138.77 83.54 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.439 2.093 . . . . 10.0 111.163 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -100.17 18.19 22.91 Favored 'Cis proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.949 -1.271 . . . . 10.0 112.4 -0.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -62.8 -22.38 66.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.667 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.02 4.39 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.63 0.974 . . . . 99.99 113.63 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.1 mt -81.25 -29.57 34.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.811 0.339 . . . . 99.99 110.446 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -135.27 -164.14 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 99.99 110.264 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.02 158.91 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.628 0.252 . . . . 99.99 110.485 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -125.91 126.18 43.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.478 -0.328 . . . . 99.99 111.072 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -84.1 135.17 34.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.262 -0.426 . . . . 99.99 110.115 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 pp -120.11 152.07 38.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.383 -0.371 . . . . 99.99 111.352 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.4 ttt-85 -122.35 112.9 18.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.776 -0.647 . . . . 99.99 109.972 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.8 mt -97.4 124.47 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.069 -0.514 . . . . 99.99 110.015 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 m -114.65 115.66 27.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.783 0.325 . . . . 99.99 111.129 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -92.9 130.91 34.81 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.951 -0.568 . . . . 99.99 110.07 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -81.47 160.42 19.66 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.681 2.254 . . . . 10.0 111.738 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 -3.99 14.26 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.578 2.185 . . . . 10.0 111.145 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.42 ' CD ' ' HZ3' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -101.66 14.29 32.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.535 -0.757 . . . . 99.99 109.801 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -69.65 143.84 93.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.808 -0.633 . . . . 99.99 109.859 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -96.94 21.13 28.16 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.976 -1.26 . . . . 10.0 112.415 -0.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -70.88 -29.66 65.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.076 0.465 . . . . 99.99 109.914 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.42 ' HZ3' ' CD ' ' A' ' 59' ' ' GLU . 5.0 mmmm -111.54 142.79 27.23 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.737 -0.665 . . . . 99.99 109.854 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.5 139.95 38.79 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.779 2.319 . . . . 10.0 112.895 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -76.62 143.25 23.94 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.559 2.173 . . . . 10.0 110.972 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.8 mtm -96.31 122.27 39.0 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.98 0.419 . . . . 99.99 111.204 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mt -112.45 131.14 64.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.975 -0.557 . . . . 99.99 109.876 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -130.7 156.82 44.29 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.765 -0.457 . . . . 99.99 109.765 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -92.27 127.14 37.64 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 110.029 -0.36 . . . . 99.99 110.029 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -23.7 31.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.838 -0.801 . . . . 99.99 108.838 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.0 m -98.38 143.66 28.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.069 -0.969 . . . . 99.99 109.943 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -78.26 115.84 18.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.976 0.417 . . . . 99.99 110.856 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.1 tt -119.03 127.8 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.026 -0.534 . . . . 99.99 111.517 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -79.6 69.28 5.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.819 -0.628 . . . . 99.99 109.467 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -116.45 131.18 23.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.971 -0.559 . . . . 99.99 110.789 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.84 -4.38 8.59 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.113 2.542 . . . . 10.0 113.789 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -118.07 14.67 14.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.501 0.667 . . . . 99.99 110.364 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.73 138.22 54.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 99.99 109.588 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.89 157.41 26.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.383 -0.371 . . . . 99.99 110.525 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -58.8 -29.89 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.118 0.784 . . . . 99.99 113.118 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -78.47 -27.57 46.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.302 0.573 . . . . 99.99 110.2 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.4 13.11 6.45 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.719 -0.753 . . . . 99.99 112.619 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -84.58 142.98 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 99.99 110.376 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.7 pt -128.71 164.7 30.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.277 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.5 88.2 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.44 0.638 . . . . 99.99 111.088 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.29 124.52 53.32 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.46 -0.791 . . . . 99.99 110.379 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -59.07 -28.64 88.39 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.973 2.449 . . . . 10.0 112.18 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.5 tt -67.03 -30.31 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 116.149 -0.478 . . . . 99.99 112.208 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.2 pt -117.64 27.23 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.129 0.49 . . . . 99.99 110.512 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 92' ' ' GLU . 80.9 p -74.94 157.46 34.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.724 -0.671 . . . . 99.99 109.791 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -80.08 32.79 0.27 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.28 0.562 . . . . 99.99 110.311 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 90' ' ' SER . 9.8 tm-20 -140.64 -56.73 0.52 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.763 -0.653 . . . . 99.99 110.611 -179.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.73 35.95 2.19 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.418 0.525 . . . . 99.99 112.418 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -75.86 134.35 40.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 99.99 110.7 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -121.25 110.25 34.5 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.704 -0.68 . . . . 99.99 109.367 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.15 -11.82 29.48 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.088 2.525 . . . . 10.0 112.413 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -80.89 -14.18 58.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.244 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.45 151.85 22.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 99.99 110.481 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -111.36 170.67 7.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 99.99 109.987 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.0 m -60.13 -27.84 67.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 99.99 111.215 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -49.06 75.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 99.99 110.798 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -70.7 -30.62 67.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.027 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.99 -47.79 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 99.99 109.854 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.73 -33.64 76.09 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.178 0.513 . . . . 99.99 109.974 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -63.82 -49.24 73.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.541 -0.754 . . . . 99.99 109.47 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.77 97.41 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.664 -0.698 . . . . 99.99 110.37 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 tp -58.7 -47.41 84.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.891 -0.595 . . . . 99.99 109.983 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -58.81 -41.92 87.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 99.99 110.833 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.44 -48.2 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 99.99 110.697 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 mt -64.45 -29.15 70.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.38 . . . . 99.99 111.734 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.9 t -75.14 -43.94 43.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 110.243 -0.28 . . . . 99.99 110.243 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -72.08 -37.78 69.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.099 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -108.57 96.75 20.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.597 -0.52 . . . . 99.99 109.597 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.32 108.93 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.873 2.382 . . . . 10.0 112.753 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -73.41 109.71 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.014 -0.539 . . . . 99.99 110.411 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 24.3 pt -89.18 -6.95 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.983 -0.553 . . . . 99.99 111.465 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -75.81 -57.03 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.461 -0.57 . . . . 99.99 109.461 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -120.52 78.63 28.74 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.786 -0.643 . . . . 99.99 109.431 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -97.46 169.14 0.82 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.851 2.367 . . . . 10.0 112.702 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.2 mp -100.11 -14.11 18.71 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.162 -0.681 . . . . 99.99 109.162 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -129.29 95.19 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.379 -0.828 . . . . 99.99 110.283 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -61.33 -32.89 72.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 99.99 110.844 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -66.17 -48.3 71.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.791 -0.64 . . . . 99.99 111.507 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.1 mp -68.52 -37.53 80.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.032 -0.531 . . . . 99.99 111.189 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.96 79.83 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.141 -0.481 . . . . 99.99 111.281 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -65.79 -38.08 88.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.414 -0.357 . . . . 99.99 110.375 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 46.7 tp -59.91 -47.47 85.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.942 -0.572 . . . . 99.99 111.23 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.15 -38.14 87.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.009 0.433 . . . . 99.99 111.039 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.7 m -72.07 -19.08 61.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.933 -0.576 . . . . 99.99 111.444 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -94.9 -50.53 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.693 0.282 . . . . 99.99 111.165 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -144.83 102.79 4.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.371 -0.377 . . . . 99.99 110.125 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.18 -36.65 56.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.977 2.451 . . . . 10.0 112.403 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -68.87 -43.82 74.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.386 -0.37 . . . . 99.99 111.046 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.0 tp -60.02 -43.82 95.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.993 0.425 . . . . 99.99 110.32 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -66.06 -41.66 90.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.805 -0.634 . . . . 99.99 109.812 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -60.18 -40.7 90.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.525 -0.762 . . . . 99.99 110.958 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.84 -47.52 85.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.129 0.49 . . . . 99.99 110.402 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -62.59 -45.64 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.356 -0.838 . . . . 99.99 110.796 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.573 . . . . 99.99 111.326 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.57 -48.76 80.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 99.99 111.069 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -60.18 -44.13 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.043 -0.526 . . . . 99.99 110.706 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -65.52 -45.05 85.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 99.99 111.27 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 26.2 m -64.04 -38.16 90.05 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.172 0.434 . . . . 99.99 112.172 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.8 -5.32 57.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.708 0.633 . . . . 99.99 112.708 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -114.64 -42.9 3.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.811 0.671 . . . . 99.99 112.811 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.71 6.35 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.126 0.417 . . . . 99.99 112.126 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -100.59 151.89 19.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 99.99 112.776 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 20.1 t -76.52 152.39 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.073 -0.714 . . . . 99.99 109.073 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -56.83 156.03 7.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.35 . . . . 99.99 111.849 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 99.99 110.912 -178.901 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptt? . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 121.116 0.484 . . . . 99.99 110.734 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -85.79 129.04 34.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.728 -0.669 . . . . 99.99 111.551 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -125.51 169.48 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.362 -0.607 . . . . 99.99 109.362 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.37 123.05 42.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.883 0.373 . . . . 99.99 110.976 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.77 107.97 24.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.223 -0.658 . . . . 99.99 109.223 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -101.64 129.15 47.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.427 -0.351 . . . . 99.99 111.08 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -97.92 170.1 9.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.908 -0.587 . . . . 99.99 110.348 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.62 -17.31 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.531 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.78 4.08 50.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.348 -0.387 . . . . 99.99 111.14 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.53 11.31 85.42 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.915 -0.66 . . . . 99.99 112.556 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.461 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 50.1 tttm -86.04 82.9 7.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 99.99 110.05 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -79.24 113.96 17.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.969 -0.56 . . . . 99.99 110.159 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 pt -111.33 151.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.39 -0.368 . . . . 99.99 110.977 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.5 142.76 27.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.207 -0.451 . . . . 99.99 110.189 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 tp -138.54 140.32 39.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.781 0.324 . . . . 99.99 110.641 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.1 105.82 16.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.957 -0.565 . . . . 99.99 109.692 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.3 m -131.49 167.85 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.28 -0.418 . . . . 99.99 110.743 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -112.85 158.61 37.2 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 109.814 -0.439 . . . . 99.99 109.814 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -58.8 -23.31 66.26 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.196 1.931 . . . . 10.0 111.718 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.22 8.7 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.998 -0.547 . . . . 99.99 111.348 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.61 131.58 35.52 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.103 -0.332 . . . . 99.99 110.103 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.51 149.68 25.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.55 -0.537 . . . . 99.99 109.55 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -55.66 -40.91 62.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.678 0.275 . . . . 99.99 111.336 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -61.1 -36.03 78.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.1 0.476 . . . . 99.99 110.626 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.7 -39.31 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 99.99 109.68 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.45 -40.39 86.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.888 -0.596 . . . . 99.99 109.683 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -59.42 -42.13 91.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.913 -0.585 . . . . 99.99 110.818 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.91 85.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.902 -0.59 . . . . 99.99 110.285 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -66.4 -38.1 86.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 99.99 110.688 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.15 -37.65 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.265 -0.642 . . . . 99.99 109.265 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -66.79 -37.15 84.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.427 -0.806 . . . . 99.99 109.756 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.67 -35.95 81.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 99.99 111.305 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -86.54 -63.6 1.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.742 0.645 . . . . 99.99 112.742 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.461 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 79.7 mm-40 -80.33 -47.32 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.815 0.672 . . . . 99.99 112.815 -177.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.15 13.32 19.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.548 -0.834 . . . . 99.99 112.421 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -77.32 125.47 86.33 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.294 -0.262 . . . . 99.99 110.294 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -53.27 134.32 56.32 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.92 2.414 . . . . 10.0 111.668 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.71 -30.42 75.61 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.434 2.756 . . . . 10.0 113.613 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.39 -25.71 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.829 0.307 . . . . 99.99 111.829 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -93.11 4.05 54.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.604 -0.271 . . . . 99.99 111.317 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -91.05 104.06 16.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.14 0.495 . . . . 99.99 111.648 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -105.48 90.32 3.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.773 -0.649 . . . . 99.99 109.419 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 mt -84.73 120.54 26.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.983 -0.553 . . . . 99.99 112.09 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -119.31 130.47 73.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 99.99 110.208 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -139.8 127.05 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.411 -0.359 . . . . 99.99 110.673 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.47 33.64 23.55 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.089 -0.505 . . . . 99.99 111.63 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.2 7.4 84.63 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.818 -0.628 . . . . 99.99 113.118 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm -118.05 142.56 47.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.235 -0.283 . . . . 99.99 110.235 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -85.41 132.78 34.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.298 -0.41 . . . . 99.99 110.051 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 37.3 mt -80.75 109.71 15.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.003 -0.544 . . . . 99.99 110.431 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.27 135.92 40.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 99.99 110.753 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.08 -44.33 41.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.093 0.775 . . . . 99.99 113.093 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.39 35.73 3.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 99.99 114.064 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -129.08 160.81 31.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.827 0.314 . . . . 99.99 110.416 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.45 159.84 15.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.266 -0.425 . . . . 99.99 110.204 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.6 -29.53 69.26 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.095 0.474 . . . . 99.99 111.089 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -28.69 69.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 99.99 111.412 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.57 -38.09 89.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.446 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -96.89 6.78 48.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 99.99 111.249 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 60.37 35.63 20.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.756 -0.656 . . . . 99.99 111.245 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.1 mt -75.24 116.58 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 99.99 110.262 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -105.4 -165.6 1.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 99.99 110.353 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 153.78 35.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.728 0.299 . . . . 99.99 110.917 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.16 16.3 10.39 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.802 0.667 . . . . 99.99 112.802 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.6 m -76.53 142.2 40.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.375 -0.231 . . . . 99.99 110.375 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.23 104.62 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.188 0.518 . . . . 99.99 111.252 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 78.4 mt -87.27 139.81 30.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.905 -0.588 . . . . 99.99 109.643 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -100.76 108.54 20.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.918 -0.401 . . . . 99.99 109.918 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 44.4 tp -93.57 100.85 13.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.392 0.615 . . . . 99.99 111.264 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 41.5 t -91.58 134.38 30.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.54 -0.911 . . . . 99.99 108.54 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.6 mp -99.64 132.74 44.78 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 121.003 -0.279 . . . . 99.99 110.66 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.347 -0.388 . . . . 99.99 110.002 179.045 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.667 0.27 . . . . 99.99 111.224 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.95 -23.45 65.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.39 -0.368 . . . . 99.99 111.234 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.8 mmm -53.19 -48.6 67.92 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.236 -0.438 . . . . 99.99 111.485 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -66.05 -40.16 90.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.32 . . . . 99.99 110.254 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.24 -43.86 86.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.922 -0.581 . . . . 99.99 110.017 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.5 t -63.79 -41.09 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 99.99 109.969 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -64.3 -48.52 75.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 99.99 110.757 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -58.21 -41.95 85.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.072 -0.513 . . . . 99.99 110.636 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.4 tp -67.09 -46.27 74.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.839 -0.619 . . . . 99.99 110.237 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.79 -37.39 76.22 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.351 -0.386 . . . . 99.99 111.412 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -72.67 -46.27 54.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.059 0.457 . . . . 99.99 110.817 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.84 -28.86 67.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.674 0.62 . . . . 99.99 112.674 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -77.58 -6.16 52.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.008 0.373 . . . . 99.99 112.008 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -102.35 -34.59 9.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 99.99 110.74 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -135.62 71.18 65.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 99.99 110.217 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.23 141.06 15.96 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.424 2.083 . . . . 10.0 112.401 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -62.92 154.33 67.34 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.945 2.43 . . . . 10.0 111.139 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.25 -11.39 25.13 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.838 2.359 . . . . 10.0 113.215 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -108.48 7.96 27.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.77 0.285 . . . . 99.99 111.77 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 tp -135.5 105.5 6.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.904 0.383 . . . . 99.99 110.652 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.67 164.32 20.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.291 -0.413 . . . . 99.99 111.395 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.7 37.79 18.81 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.968 -0.56 . . . . 99.99 111.529 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' C ' ' HG ' ' A' ' 25' ' ' SER . 48.2 tp -84.86 116.1 23.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.837 -0.62 . . . . 99.99 111.035 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.409 ' HG ' ' C ' ' A' ' 24' ' ' LEU . 41.3 m -153.69 166.38 33.0 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.851 -0.613 . . . . 99.99 109.475 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.41 162.39 25.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.622 0.249 . . . . 99.99 110.399 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.34 149.91 47.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.195 -0.457 . . . . 99.99 110.087 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -55.71 -29.44 59.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.641 0.608 . . . . 99.99 112.641 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.0 30.34 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.93 0.344 . . . . 99.99 111.93 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -162.04 120.68 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.053 0.454 . . . . 99.99 111.838 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.91 -14.13 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.32 0.581 . . . . 99.99 110.617 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.53 6.75 44.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.813 -0.631 . . . . 99.99 110.966 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.23 118.75 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.248 -0.433 . . . . 99.99 110.101 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -98.75 143.66 28.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.978 0.418 . . . . 99.99 111.392 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -121.96 125.96 47.52 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.423 -0.955 . . . . 99.99 108.423 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.15 158.93 41.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.911 0.386 . . . . 99.99 111.666 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.5 mt -110.63 117.81 34.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.536 -0.756 . . . . 99.99 109.509 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.5 tp -86.31 132.0 34.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.201 -0.454 . . . . 99.99 110.016 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.6 88.08 12.96 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 99.99 110.812 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -70.26 145.95 55.73 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.282 1.988 . . . . 10.0 110.456 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -96.41 -25.39 15.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.108 0.48 . . . . 99.99 110.549 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -61.89 138.22 95.52 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.441 -0.799 . . . . 99.99 111.274 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -76.67 142.29 22.83 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.621 2.214 . . . . 10.0 111.378 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -100.07 20.92 21.54 Favored 'Cis proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.951 -1.27 . . . . 10.0 111.758 -0.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -66.13 -13.6 60.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.969 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -78.16 -3.72 43.93 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.413 0.523 . . . . 99.99 112.413 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.23 -25.08 34.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.903 0.382 . . . . 99.99 111.426 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -136.38 -170.66 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.283 -0.417 . . . . 99.99 110.677 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.98 156.55 43.61 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.35 -0.611 . . . . 99.99 109.35 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -123.88 126.49 46.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.774 0.321 . . . . 99.99 110.66 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -83.66 134.48 34.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.304 -0.407 . . . . 99.99 110.501 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.01 146.59 47.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.216 -0.447 . . . . 99.99 110.683 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -116.77 114.8 24.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.814 -0.63 . . . . 99.99 110.039 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.3 mt -96.36 118.4 42.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.656 -0.498 . . . . 99.99 109.656 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.37 112.22 25.18 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.293 -0.412 . . . . 99.99 111.037 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -87.64 128.47 54.45 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.277 -0.42 . . . . 99.99 110.655 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -75.37 152.36 39.0 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.69 2.26 . . . . 10.0 110.851 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.23 -15.33 48.92 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.507 2.138 . . . . 10.0 112.561 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -99.95 24.12 8.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.628 -0.26 . . . . 99.99 111.574 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -63.49 142.92 97.94 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.462 -0.57 . . . . 99.99 109.462 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -97.34 20.27 28.39 Favored 'Cis proline' 0 N--CA 1.459 -0.534 0 C-N-CA 124.151 -1.187 . . . . 10.0 112.808 0.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -70.27 -29.27 65.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.291 0.567 . . . . 99.99 109.573 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 133.46 20.3 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.362 -0.835 . . . . 99.99 109.641 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.93 139.85 48.55 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.825 2.35 . . . . 10.0 113.113 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -71.7 124.82 10.55 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.756 2.304 . . . . 10.0 111.422 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 36.0 mtm -81.77 112.75 19.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.025 -0.534 . . . . 99.99 110.545 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.8 mt -104.12 131.66 52.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.306 -0.406 . . . . 99.99 110.727 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -135.81 160.85 37.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.463 -0.569 . . . . 99.99 109.463 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.27 134.22 34.76 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.711 -0.395 . . . . 99.99 110.672 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -81.26 -39.89 24.59 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.23 -0.656 . . . . 99.99 109.23 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.06 -164.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.67 -0.695 . . . . 99.99 109.893 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -121.16 118.84 30.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.777 0.322 . . . . 99.99 110.744 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.6 tt -116.71 122.33 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.121 -0.491 . . . . 99.99 111.442 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -80.22 74.69 7.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.906 -0.588 . . . . 99.99 110.117 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -126.08 137.55 30.39 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 99.99 110.063 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.78 -6.07 8.51 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.01 2.473 . . . . 10.0 113.775 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -110.52 10.99 23.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.046 0.451 . . . . 99.99 111.087 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -130.68 145.11 36.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.406 -0.961 . . . . 99.99 108.406 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.411 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -86.09 172.53 10.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.574 0.226 . . . . 99.99 111.316 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.35 -25.12 67.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.594 0.591 . . . . 99.99 112.594 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.411 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 4.2 m120 -84.49 -48.74 9.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.149 0.5 . . . . 99.99 110.298 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.79 20.55 0.32 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.752 -0.658 . . . . 99.99 112.238 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.74 154.65 20.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.794 0.33 . . . . 99.99 110.519 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.4 pt -137.37 164.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.145 -0.48 . . . . 99.99 110.766 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 1.015 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 0.5 OUTLIER -124.03 87.42 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.801 -0.636 . . . . 99.99 110.104 179.026 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.7 mp -104.0 111.11 65.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.868 -0.606 . . . . 99.99 110.558 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.84 -30.93 78.96 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.091 2.527 . . . . 10.0 112.593 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.62 -27.67 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.154 0.427 . . . . 99.99 112.154 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 pt -127.94 39.29 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.073 0.463 . . . . 99.99 110.645 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.5 p -102.13 170.67 7.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.0 -0.546 . . . . 99.99 110.559 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -83.76 0.58 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.703 0.764 . . . . 99.99 109.612 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -101.92 -17.68 16.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.038 -0.983 . . . . 99.99 109.525 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -160.83 122.69 3.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.823 -0.626 . . . . 99.99 110.506 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -166.3 140.8 4.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.595 -0.275 . . . . 99.99 110.601 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.78 121.4 19.99 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.563 -0.532 . . . . 99.99 109.563 179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.99 -20.19 66.36 Favored 'Trans proline' 0 N--CA 1.475 0.436 0 C-N-CA 122.991 2.461 . . . . 10.0 112.525 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.65 -17.28 60.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.026 -0.534 . . . . 99.99 111.165 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.6 m -78.89 133.37 36.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.856 -0.611 . . . . 99.99 110.397 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -95.85 161.98 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 99.99 110.562 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -60.3 -29.05 68.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.238 0.458 . . . . 99.99 112.238 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -37.22 80.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.943 0.401 . . . . 99.99 110.843 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -71.08 -37.43 72.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 99.99 110.143 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.2 t -65.61 -41.25 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 99.99 110.146 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.72 -38.12 84.01 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.953 -0.567 . . . . 99.99 110.699 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -64.5 -48.84 73.65 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.87 -0.604 . . . . 99.99 109.854 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.54 -42.23 87.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.964 -0.562 . . . . 99.99 110.507 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.25 -49.32 77.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 99.99 110.221 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.99 -41.93 84.08 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.102 -0.499 . . . . 99.99 111.139 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.9 t -62.73 -44.39 99.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 99.99 110.895 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.2 mt -69.95 -29.22 66.29 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.169 0.433 . . . . 99.99 112.169 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.04 -39.08 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.099 0.476 . . . . 99.99 109.884 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -77.15 -50.19 13.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.731 -0.668 . . . . 99.99 110.546 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -103.14 106.38 50.75 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.175 -0.466 . . . . 99.99 110.459 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.66 147.25 63.09 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.849 2.366 . . . . 10.0 112.383 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -105.46 106.34 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 99.99 109.793 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.3 pt -83.23 -2.91 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.076 -0.511 . . . . 99.99 111.761 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.8 mtp-105 -84.75 -54.73 4.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.384 -0.599 . . . . 99.99 109.384 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -126.62 81.29 68.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.68 . . . . 99.99 109.819 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -96.47 175.75 0.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.954 2.436 . . . . 10.0 112.051 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.5 mp -105.59 -9.67 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.385 0.612 . . . . 99.99 109.469 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -135.82 96.65 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.335 -0.848 . . . . 99.99 110.227 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -60.87 -32.1 71.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.961 -0.563 . . . . 99.99 111.048 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -66.01 -47.24 75.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.828 -0.623 . . . . 99.99 111.298 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.8 mp -71.16 -37.73 72.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.077 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.85 90.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 99.99 110.198 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.38 -44.52 96.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.807 -0.633 . . . . 99.99 110.312 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.99 -44.24 97.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.844 -0.616 . . . . 99.99 111.225 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.72 -36.15 82.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 99.99 111.445 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.4 m -87.29 14.04 8.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.279 0.562 . . . . 99.99 111.492 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -129.1 -49.2 1.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 99.99 111.179 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -144.7 95.23 5.36 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.978 0.418 . . . . 99.99 110.431 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -63.18 -32.11 74.37 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.967 2.445 . . . . 10.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -67.84 -48.09 67.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.59 -0.277 . . . . 99.99 110.794 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.0 tp -61.92 -41.97 98.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 99.99 110.192 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -63.92 -41.37 97.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.758 -0.656 . . . . 99.99 109.859 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -60.48 -42.89 97.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.431 -0.804 . . . . 99.99 110.831 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -58.36 -51.1 71.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.104 0.478 . . . . 99.99 110.958 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -43.04 99.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.677 -0.692 . . . . 99.99 111.253 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.01 82.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 99.99 111.425 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -61.83 -54.29 44.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 99.99 111.849 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.35 -39.85 80.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 99.99 110.559 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -65.94 -43.98 86.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.916 -0.584 . . . . 99.99 111.27 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 44.0 m -62.04 -39.71 93.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.044 0.449 . . . . 99.99 110.993 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 35.8 mt -87.2 12.09 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 99.99 110.866 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -120.37 -52.72 2.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.251 -0.432 . . . . 99.99 111.206 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -115.46 36.63 3.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.466 -0.334 . . . . 99.99 111.327 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -126.09 158.24 20.24 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.677 -0.773 . . . . 99.99 112.339 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 22.9 t -81.72 148.32 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.84 -0.8 . . . . 99.99 108.84 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -63.45 145.82 54.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.754 0.312 . . . . 99.99 111.252 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -67.21 117.38 45.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 99.99 110.935 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo . . . . . 0 C--O 1.248 0.987 0 C-N-CA 123.153 2.569 . . . . 10.0 111.799 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.964 0.411 . . . . 99.99 110.811 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -89.69 120.38 30.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.978 -0.556 . . . . 99.99 111.471 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -113.38 172.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.424 -0.584 . . . . 99.99 109.424 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -120.56 120.3 35.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.703 0.287 . . . . 99.99 110.883 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.6 t -106.35 110.47 31.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.288 -0.634 . . . . 99.99 109.288 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -105.65 126.27 51.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.002 0.43 . . . . 99.99 111.45 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 21.2 p -87.2 170.34 11.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.998 -0.546 . . . . 99.99 109.611 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 38.9 mt -69.18 -9.16 51.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.013 0.435 . . . . 99.99 110.865 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.89 3.18 55.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.093 -0.503 . . . . 99.99 110.678 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.9 -23.39 17.51 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.921 -0.657 . . . . 99.99 112.348 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -60.27 114.27 2.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.933 0.397 . . . . 99.99 110.375 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -111.41 125.67 54.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 99.99 110.151 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 30.3 pt -114.6 155.77 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.007 0.432 . . . . 99.99 111.269 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.78 131.77 40.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.783 -0.644 . . . . 99.99 109.373 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 tp -128.48 133.68 48.54 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.822 -0.351 . . . . 99.99 111.241 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.81 109.92 22.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.501 . . . . 99.99 110.252 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 m -137.82 153.6 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.581 -0.736 . . . . 99.99 109.952 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -99.96 161.92 22.71 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.29 -0.633 . . . . 99.99 109.29 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.21 -30.34 70.98 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.144 1.896 . . . . 10.0 112.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.65 5.19 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.569 . . . . 99.99 112.354 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.96 129.35 37.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.605 0.24 . . . . 99.99 110.647 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.31 147.88 32.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 99.99 110.054 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 39.6 mm -58.19 -40.37 77.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.593 -0.276 . . . . 99.99 111.544 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -40.79 86.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.382 0.611 . . . . 99.99 109.979 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -34.56 76.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.548 -0.751 . . . . 99.99 109.861 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.66 -42.55 96.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 109.132 -0.692 . . . . 99.99 109.132 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.26 -41.19 88.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.697 -0.683 . . . . 99.99 110.22 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.22 96.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.586 -0.734 . . . . 99.99 110.166 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -64.73 -36.01 82.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 99.99 110.782 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.23 -44.58 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 99.99 109.911 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -66.56 -31.17 71.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.016 0.436 . . . . 99.99 110.392 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.53 -37.73 79.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.732 -0.667 . . . . 99.99 111.903 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -99.87 -42.63 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.664 0.616 . . . . 99.99 112.664 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -85.86 -60.34 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.61 0.243 . . . . 99.99 111.359 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.64 -4.71 11.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.602 -0.809 . . . . 99.99 112.633 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.15 122.46 82.87 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.469 0.176 . . . . 99.99 110.825 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -57.8 135.89 71.98 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.119 2.546 . . . . 10.0 112.137 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.8 -27.61 78.82 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.35 2.7 . . . . 10.0 112.641 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.81 -27.6 68.38 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.13 0.491 . . . . 99.99 110.755 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -102.69 7.16 39.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.748 -0.66 . . . . 99.99 110.636 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -95.61 104.07 15.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.049 0.389 . . . . 99.99 112.049 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -109.74 96.28 6.15 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.427 -0.583 . . . . 99.99 109.427 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 38.8 mt -82.89 119.02 23.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 99.99 111.809 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.9 mm -110.84 127.76 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 99.99 109.811 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -130.36 117.0 19.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.178 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.63 28.35 15.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.92 -0.582 . . . . 99.99 111.962 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.06 -11.0 73.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.831 -0.699 . . . . 99.99 113.259 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -100.09 145.45 27.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.785 0.293 . . . . 99.99 110.256 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -87.98 131.09 34.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.76 -0.459 . . . . 99.99 109.76 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 59.8 mt -77.22 113.44 14.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.237 -0.438 . . . . 99.99 111.247 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -73.63 135.69 43.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.131 -0.486 . . . . 99.99 109.751 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.06 -40.52 45.44 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.222 0.823 . . . . 99.99 113.222 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.97 5.19 80.53 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.829 -0.7 . . . . 99.99 114.508 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -98.04 163.22 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.369 0.584 . . . . 99.99 110.14 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.0 p -114.35 179.96 3.8 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.499 -0.556 . . . . 99.99 109.499 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt -73.4 -18.99 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.928 0.394 . . . . 99.99 110.971 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.6 m -75.45 -29.89 59.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.294 -0.412 . . . . 99.99 110.313 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -58.43 -54.07 51.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.636 -0.711 . . . . 99.99 111.992 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -87.21 4.83 40.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 99.99 111.986 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 58.88 60.24 2.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.552 0.691 . . . . 99.99 110.281 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.8 mt -94.91 121.6 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.452 -0.795 . . . . 99.99 110.46 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -96.07 -174.44 3.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.008 -0.542 . . . . 99.99 109.821 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -76.48 155.92 33.44 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.842 -0.343 . . . . 99.99 111.014 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.13 9.05 6.95 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.649 0.611 . . . . 99.99 112.649 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -66.06 129.52 40.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.868 0.366 . . . . 99.99 110.398 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.6 m -94.09 111.79 23.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 99.99 110.86 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 29.6 mt -95.71 149.31 21.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.764 -0.653 . . . . 99.99 109.669 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -104.91 117.2 33.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.861 -0.422 . . . . 99.99 109.861 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.4 tp -97.64 111.04 23.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.158 0.504 . . . . 99.99 112.02 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.4 t -98.72 129.23 49.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.608 -0.886 . . . . 99.99 108.608 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -90.03 127.98 36.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.348 0.594 . . . . 99.99 112.024 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -99.57 92.9 5.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.617 -0.72 . . . . 99.99 109.802 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mp -78.43 116.14 18.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.03 0.443 . . . . 99.99 111.11 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -100.4 77.29 1.93 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.953 -0.567 . . . . 99.99 110.088 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.33 35.34 0.55 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.719 -0.753 . . . . 99.99 112.442 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 1.015 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 4.1 m . . . . . 0 C--O 1.253 1.273 0 CA-C-O 117.844 -1.074 . . . . 99.99 109.805 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.411 0.148 . . . . 99.99 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -66.52 -20.9 66.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.217 0.821 . . . . 99.99 113.217 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -52.15 -55.92 17.87 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.621 0.601 . . . . 99.99 112.621 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -64.02 -35.58 81.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.734 0.302 . . . . 99.99 111.003 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.5 t -59.59 -45.87 93.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.005 -0.543 . . . . 99.99 111.041 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.64 -38.14 81.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.215 0.531 . . . . 99.99 110.107 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -69.29 -41.09 77.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.909 -0.587 . . . . 99.99 111.316 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.05 -38.75 82.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 99.99 111.118 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.77 -52.04 66.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.851 -0.426 . . . . 99.99 109.851 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -60.78 -37.47 81.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.551 . . . . 99.99 110.482 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -52.08 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.615 -0.721 . . . . 99.99 110.09 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.7 mt -72.59 -23.92 61.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.438 -0.801 . . . . 99.99 112.892 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -74.19 -17.59 60.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 99.99 111.234 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -92.76 -38.79 11.6 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.423 -0.584 . . . . 99.99 109.423 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -122.89 74.98 47.89 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.704 -0.68 . . . . 99.99 110.238 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.57 137.0 7.71 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.793 2.328 . . . . 10.0 111.879 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -68.03 145.78 68.68 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.39 2.06 . . . . 10.0 110.586 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.34 -21.07 35.04 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 123.028 2.485 . . . . 10.0 114.07 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -97.09 7.19 47.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.857 0.688 . . . . 99.99 112.857 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.9 tp -132.48 117.05 17.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.798 0.333 . . . . 99.99 110.792 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -124.0 166.0 16.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.332 -0.395 . . . . 99.99 110.41 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 58.43 29.8 18.76 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.643 0.608 . . . . 99.99 112.643 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.1 tp -68.87 101.22 1.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.31 0.576 . . . . 99.99 111.044 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.47 173.9 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.767 -0.651 . . . . 99.99 110.375 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -169.62 2.69 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.469 -0.567 . . . . 99.99 109.469 178.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -85.51 161.8 19.2 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.25 -0.648 . . . . 99.99 109.25 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.97 -37.72 80.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.817 0.341 . . . . 99.99 111.131 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.48 39.33 2.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.218 -0.447 . . . . 99.99 111.235 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -162.73 139.6 7.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 99.99 110.978 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.5 p -98.85 -10.78 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.152 0.501 . . . . 99.99 110.52 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -94.37 15.04 18.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 99.99 111.163 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.52 123.62 42.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.156 -0.683 . . . . 99.99 109.156 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -105.7 140.88 38.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.023 0.439 . . . . 99.99 111.261 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -118.46 123.36 44.99 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.003 -1.11 . . . . 99.99 108.003 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.26 161.53 42.48 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.515 -0.474 . . . . 99.99 112.233 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.6 mt -113.81 123.03 48.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.444 -0.798 . . . . 99.99 109.799 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.8 tp -91.7 131.42 37.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.275 -0.42 . . . . 99.99 109.907 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.4 mp -117.32 88.61 28.57 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.876 -0.602 . . . . 99.99 110.574 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.93 158.05 53.51 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.668 2.245 . . . . 10.0 111.582 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -99.41 -33.55 10.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 99.99 110.82 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -56.98 121.1 43.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 99.99 111.417 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -67.97 147.4 74.03 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.623 2.216 . . . . 10.0 110.774 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -95.96 18.83 33.31 Favored 'Cis proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.972 -1.262 . . . . 10.0 112.222 -0.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -62.69 -24.22 67.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.981 0.419 . . . . 99.99 111.415 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.32 -0.26 19.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.906 0.706 . . . . 99.99 112.906 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -75.77 -29.61 58.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.76 0.314 . . . . 99.99 110.666 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -140.99 -163.41 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 99.99 110.271 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.75 161.29 31.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.674 0.273 . . . . 99.99 110.373 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -126.51 134.13 50.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.512 -0.313 . . . . 99.99 110.192 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -91.1 136.13 33.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.782 0.325 . . . . 99.99 110.795 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.08 154.96 35.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.203 -0.453 . . . . 99.99 110.597 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -124.35 110.4 14.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.979 -0.555 . . . . 99.99 109.736 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.4 mt -93.97 117.72 38.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.023 -0.535 . . . . 99.99 110.489 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.52 114.56 28.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.397 -0.365 . . . . 99.99 110.439 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -89.2 130.82 42.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.439 . . . . 99.99 111.215 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.35 154.86 36.57 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.462 2.108 . . . . 10.0 111.229 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.4 -19.66 55.25 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.323 2.015 . . . . 10.0 111.855 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -97.19 16.9 18.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 99.99 111.655 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -62.01 140.19 95.83 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.784 -0.45 . . . . 99.99 109.784 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -98.73 25.64 18.95 Favored 'Cis proline' 0 C--N 1.35 0.623 0 C-N-CA 124.232 -1.153 . . . . 10.0 113.358 0.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -75.22 -25.5 58.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.484 0.659 . . . . 99.99 109.283 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.42 137.09 21.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.013 -0.994 . . . . 99.99 108.757 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.76 137.64 50.41 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.724 2.282 . . . . 10.0 112.676 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.77 151.49 46.17 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.519 2.146 . . . . 10.0 111.181 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 30.2 mtm -102.34 112.53 25.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 99.99 110.739 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.2 mt -113.3 122.88 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.013 0.435 . . . . 99.99 110.489 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -137.34 163.26 31.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.002 -0.544 . . . . 99.99 109.716 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -89.11 134.8 33.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.98 -0.378 . . . . 99.99 109.98 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.5 -33.8 31.68 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.487 -0.56 . . . . 99.99 109.487 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.33 178.85 5.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.455 -0.793 . . . . 99.99 110.107 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -97.66 128.49 44.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.788 0.327 . . . . 99.99 110.681 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.6 tt -128.19 129.68 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.234 0.54 . . . . 99.99 111.552 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -84.68 81.51 8.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.793 -0.639 . . . . 99.99 109.399 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -132.86 134.87 25.06 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.355 -0.384 . . . . 99.99 110.657 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.59 -4.5 11.04 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.939 2.426 . . . . 10.0 113.762 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -116.44 17.85 15.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.058 0.456 . . . . 99.99 110.528 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.4 t -139.01 142.92 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 108.72 -0.844 . . . . 99.99 108.72 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.04 172.32 10.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.61 0.243 . . . . 99.99 111.187 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.28 -29.22 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.579 0.585 . . . . 99.99 112.579 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -76.44 -33.87 58.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.201 0.524 . . . . 99.99 110.03 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.35 19.79 3.78 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.582 -0.736 . . . . 99.99 111.839 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -82.23 137.18 34.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.833 0.349 . . . . 99.99 110.517 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -127.29 140.59 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.951 -0.568 . . . . 99.99 109.587 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.8 m -104.04 108.66 20.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.417 . . . . 99.99 109.988 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.77 120.53 34.08 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.981 -0.554 . . . . 99.99 110.806 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.21 -31.72 94.12 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.987 2.458 . . . . 10.0 111.954 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.0 tp -62.78 -33.99 63.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.276 -0.42 . . . . 99.99 111.672 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.3 pt -113.27 29.58 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.251 0.548 . . . . 99.99 110.76 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.9 p -86.56 155.88 20.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.758 -0.656 . . . . 99.99 109.846 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.91 -7.39 45.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.087 0.47 . . . . 99.99 110.775 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -101.24 -28.71 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.347 0.499 . . . . 99.99 112.347 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -128.84 25.53 5.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.978 1.103 . . . . 99.99 113.978 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -75.29 123.98 26.29 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.405 -0.518 . . . . 99.99 111.503 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -113.77 117.27 44.61 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 108.621 -0.881 . . . . 99.99 108.621 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -58.92 -21.85 59.91 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 123.117 2.544 . . . . 10.0 113.292 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -9.01 58.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.323 -0.399 . . . . 99.99 111.798 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -84.2 134.13 34.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.259 -0.428 . . . . 99.99 110.438 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -92.63 160.17 15.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 99.99 109.782 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -60.35 -30.85 69.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.216 0.45 . . . . 99.99 112.216 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -37.41 81.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.36 . . . . 99.99 110.95 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.17 -36.05 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 99.99 110.17 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.76 -42.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 99.99 109.437 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.87 -35.28 80.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.646 -0.707 . . . . 99.99 110.175 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -63.9 -46.89 82.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 99.99 109.091 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.08 96.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.58 -0.736 . . . . 99.99 110.614 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.6 -47.38 84.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.056 -0.52 . . . . 99.99 110.516 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.93 -41.29 82.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 99.99 110.418 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.04 -45.12 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 99.99 110.805 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.0 -31.73 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.835 0.309 . . . . 99.99 111.835 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.65 -44.5 52.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.037 0.446 . . . . 99.99 110.976 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -75.93 -33.55 59.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.322 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -113.1 92.19 20.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.225 -0.443 . . . . 99.99 110.003 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.88 106.09 1.25 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.433 2.089 . . . . 10.0 111.485 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -65.76 111.12 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.117 -0.492 . . . . 99.99 110.235 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.0 pt -84.19 -14.47 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.992 -0.549 . . . . 99.99 111.849 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.3 mtp-105 -76.57 -48.42 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.962 0.41 . . . . 99.99 110.84 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -127.74 79.73 73.11 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 99.99 110.036 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -95.08 175.82 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.828 2.352 . . . . 10.0 111.393 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.36 -20.98 13.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.449 0.642 . . . . 99.99 109.485 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -132.15 97.68 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.238 -0.892 . . . . 99.99 110.025 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -64.82 -25.23 67.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.999 -0.546 . . . . 99.99 111.103 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -68.51 -37.64 80.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 99.99 111.098 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.3 mp -81.76 -35.51 29.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 99.99 110.584 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.3 86.12 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.046 -0.524 . . . . 99.99 109.846 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -60.16 -44.49 94.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.567 -0.742 . . . . 99.99 109.305 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.6 -47.13 86.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.324 -0.853 . . . . 99.99 111.133 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.8 -32.43 73.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.999 0.428 . . . . 99.99 111.729 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.7 m -78.01 -33.83 51.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.183 -0.462 . . . . 99.99 110.981 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -80.95 -54.86 5.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.417 . . . . 99.99 111.497 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -139.83 101.92 7.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.459 -0.337 . . . . 99.99 110.991 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -62.93 -36.93 57.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.821 2.347 . . . . 10.0 112.348 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -64.75 -42.99 94.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.835 0.35 . . . . 99.99 110.883 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.41 -42.22 91.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.166 -0.47 . . . . 99.99 109.865 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -68.24 -40.58 81.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.819 -0.628 . . . . 99.99 109.603 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -57.3 -43.03 82.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.323 -0.853 . . . . 99.99 111.195 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -63.82 -50.76 67.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.998 0.428 . . . . 99.99 111.204 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.02 -44.69 97.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.59 . . . . 99.99 111.323 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.8 88.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 99.99 111.341 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -58.53 -54.46 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 99.99 111.057 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -58.72 -43.71 90.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 99.99 110.826 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.61 -43.36 97.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.392 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.2 m -67.03 -37.58 84.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 99.99 111.248 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 91.0 mt -88.58 15.13 8.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.56 -0.291 . . . . 99.99 111.69 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -132.7 -45.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.818 0.303 . . . . 99.99 111.818 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -112.28 18.92 18.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.856 0.36 . . . . 99.99 111.169 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -108.54 163.65 12.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.582 -0.818 . . . . 99.99 112.694 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 35.9 t -91.44 150.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.845 -0.798 . . . . 99.99 108.845 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -64.21 144.91 56.78 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.694 -0.402 . . . . 99.99 111.3 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -83.11 116.77 66.06 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.977 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo . . . . . 0 C--O 1.252 1.204 0 C-N-CA 123.253 2.635 . . . . 10.0 112.277 -179.576 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.831 0.348 . . . . 99.99 110.688 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -88.42 126.69 35.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.908 -0.587 . . . . 99.99 111.545 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.4 pt -126.25 164.72 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.584 -0.525 . . . . 99.99 109.584 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -121.22 125.13 46.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.747 0.308 . . . . 99.99 110.84 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -106.98 107.18 22.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.034 -0.728 . . . . 99.99 109.034 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -100.23 128.24 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.375 -0.375 . . . . 99.99 111.414 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.0 p -89.11 -179.93 6.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.046 -0.525 . . . . 99.99 110.176 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 86.9 mt -82.82 -1.98 53.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.051 0.453 . . . . 99.99 110.753 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.81 11.21 32.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.003 0.43 . . . . 99.99 111.402 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.71 -26.8 7.0 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.939 -0.648 . . . . 99.99 113.805 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -64.15 112.12 2.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.862 0.363 . . . . 99.99 111.165 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.2 m -107.8 127.56 53.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.021 -0.536 . . . . 99.99 109.623 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.4 pt -113.8 139.67 38.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.87 0.367 . . . . 99.99 111.315 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.8 m -85.31 137.8 32.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.938 -0.574 . . . . 99.99 109.758 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 tp -137.37 150.48 47.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.63 -0.259 . . . . 99.99 110.372 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -112.63 119.76 39.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.334 0.588 . . . . 99.99 111.2 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.4 m -143.82 152.83 15.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.479 -0.782 . . . . 99.99 109.478 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -101.13 158.89 30.94 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 108.095 -1.076 . . . . 99.99 108.095 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.26 -23.29 36.51 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.394 2.062 . . . . 10.0 112.797 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -80.22 -14.62 58.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.486 . . . . 99.99 111.867 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.33 137.55 56.13 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.921 0.391 . . . . 99.99 110.53 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.0 p -87.99 157.68 18.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.03 -0.532 . . . . 99.99 109.646 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.3 mm -59.71 -36.03 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.617 -0.512 . . . . 99.99 109.617 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.95 -40.19 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 99.99 110.109 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -71.08 -36.58 72.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.209 -0.45 . . . . 99.99 110.234 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 87.4 t -61.21 -43.32 96.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.838 -0.619 . . . . 99.99 109.628 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.29 -42.38 86.5 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.844 -0.616 . . . . 99.99 110.721 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.07 -40.41 96.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 99.99 110.32 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.56 -29.83 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 99.99 110.901 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.9 mt -73.53 -43.4 55.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 N-CA-C 109.335 -0.617 . . . . 99.99 109.335 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.78 -25.86 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.586 -0.733 . . . . 99.99 109.969 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.73 -37.87 80.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.524 -0.762 . . . . 99.99 111.459 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -101.25 -40.67 7.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.704 1.001 . . . . 99.99 113.704 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -88.6 -52.91 4.9 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.318 0.488 . . . . 99.99 112.318 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.24 -14.13 18.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.532 -0.842 . . . . 99.99 112.223 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.36 119.69 48.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 110.443 -0.206 . . . . 99.99 110.443 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.59 141.56 95.57 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.723 2.282 . . . . 10.0 112.201 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -56.08 -28.32 69.23 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.32 2.68 . . . . 10.0 112.161 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -64.35 -24.07 67.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.389 0.614 . . . . 99.99 110.603 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -107.44 15.74 24.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.732 -0.667 . . . . 99.99 110.576 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -108.47 113.28 26.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.092 -0.504 . . . . 99.99 111.539 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -112.73 95.72 5.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.04 -0.726 . . . . 99.99 109.04 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 62.3 mt -86.95 124.3 33.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.09 -0.505 . . . . 99.99 112.119 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.5 mm -119.12 126.85 75.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-N 115.747 -0.66 . . . . 99.99 110.237 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -121.1 105.14 10.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.661 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.05 35.81 25.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.832 -0.622 . . . . 99.99 111.909 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.44 -15.99 60.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.033 -0.604 . . . . 99.99 112.768 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -89.32 126.82 35.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.464 -0.199 . . . . 99.99 110.464 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -76.68 124.59 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.044 -0.724 . . . . 99.99 109.044 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.87 115.98 17.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.964 0.411 . . . . 99.99 111.774 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -80.26 133.77 36.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.902 -0.59 . . . . 99.99 109.84 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.87 -41.97 62.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.165 0.802 . . . . 99.99 113.165 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.65 -4.17 84.56 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 121.041 -0.599 . . . . 99.99 114.584 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -94.72 157.87 15.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.48 0.64 . . . . 99.99 111.288 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.5 p -103.02 171.77 7.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.816 -0.438 . . . . 99.99 109.816 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.61 -23.31 65.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.901 0.381 . . . . 99.99 110.356 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -75.32 -22.31 57.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 99.99 110.868 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.68 -40.3 95.17 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.156 -0.475 . . . . 99.99 111.617 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -99.94 6.36 45.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.286 -0.415 . . . . 99.99 110.988 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 56.02 63.52 2.0 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.333 0.587 . . . . 99.99 110.739 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -97.66 128.5 48.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.635 -0.712 . . . . 99.99 110.727 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -101.89 -171.87 2.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.5 . . . . 99.99 110.052 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -78.93 160.46 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.456 0.17 . . . . 99.99 110.805 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 71.6 6.01 5.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.641 0.608 . . . . 99.99 112.641 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.9 m -72.42 141.93 48.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.92 0.391 . . . . 99.99 110.775 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.4 m -107.92 118.13 35.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.998 -0.546 . . . . 99.99 110.647 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 61.3 mt -96.35 135.74 37.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.967 -0.56 . . . . 99.99 109.566 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -89.86 115.45 27.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.892 -0.41 . . . . 99.99 109.892 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.1 tp -96.98 107.98 20.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.122 0.487 . . . . 99.99 111.86 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 41.8 t -95.1 132.41 39.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.978 -0.749 . . . . 99.99 108.978 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.1 tp -79.78 112.92 17.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.886 0.375 . . . . 99.99 111.753 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -90.97 76.24 6.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.381 -0.6 . . . . 99.99 109.381 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.92 121.62 19.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.907 -0.588 . . . . 99.99 112.323 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -94.36 97.35 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.879 -0.6 . . . . 99.99 110.106 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.31 56.56 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.624 -0.798 . . . . 99.99 112.117 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.254 -0.879 . . . . 99.99 109.684 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.656 0.265 . . . . 99.99 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -31.42 67.36 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.107 0.41 . . . . 99.99 112.107 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 46.1 ttm -53.14 -47.23 68.89 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.44 -0.346 . . . . 99.99 111.832 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -74.49 -39.47 62.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.611 -0.268 . . . . 99.99 110.579 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.8 t -55.81 -47.13 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 99.99 111.185 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.15 -41.98 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 99.99 110.543 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -43.28 85.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.375 -0.375 . . . . 99.99 111.106 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -63.95 -36.13 82.95 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.386 -0.37 . . . . 99.99 110.605 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.44 -47.37 86.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.901 -0.59 . . . . 99.99 109.936 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -60.48 -39.7 88.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 99.99 110.768 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -56.53 -52.08 66.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.2 0.524 . . . . 99.99 110.814 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -76.81 -21.84 54.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.518 -0.765 . . . . 99.99 112.734 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -78.76 -36.04 43.63 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.643 -0.423 . . . . 99.99 110.949 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -78.24 -36.88 46.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.44 0.638 . . . . 99.99 110.074 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -127.07 81.24 70.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.367 -0.833 . . . . 99.99 110.005 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.07 126.6 3.3 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.13 2.553 . . . . 10.0 112.127 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.61 146.49 96.81 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.402 2.068 . . . . 10.0 110.462 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.2 -25.22 45.32 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.753 2.302 . . . . 10.0 113.236 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -94.13 4.78 53.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.199 0.444 . . . . 99.99 112.199 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.4 tp -124.72 102.01 7.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.545 -0.539 . . . . 99.99 109.545 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -108.33 136.85 47.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.266 0.469 . . . . 99.99 112.266 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.3 t30 56.88 74.69 0.4 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.939 -1.028 . . . . 99.99 113.239 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 tp -95.74 97.08 9.42 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.997 -0.742 . . . . 99.99 108.997 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -122.72 143.39 49.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.233 -0.44 . . . . 99.99 111.056 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.13 162.27 28.65 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.135 -0.691 . . . . 99.99 109.135 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.72 149.69 48.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.909 0.385 . . . . 99.99 110.955 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.05 -39.2 71.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.561 -0.745 . . . . 99.99 112.466 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.81 -38.63 6.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.175 0.806 . . . . 99.99 113.175 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -109.03 130.05 55.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.341 0.497 . . . . 99.99 112.341 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -82.5 -14.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.029 -0.532 . . . . 99.99 110.747 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.61 -3.62 57.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.11 -0.496 . . . . 99.99 111.441 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.0 t -114.28 119.67 61.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.756 -0.461 . . . . 99.99 109.756 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -106.57 140.94 38.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.822 0.344 . . . . 99.99 111.198 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -122.22 121.62 37.25 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.589 -0.893 . . . . 99.99 108.589 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.24 164.81 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.759 0.314 . . . . 99.99 111.524 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.6 mt -111.11 121.71 46.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.955 -0.566 . . . . 99.99 110.517 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.0 tp -87.81 134.88 33.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.601 -0.518 . . . . 99.99 109.601 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mp -118.65 86.86 30.51 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.255 -0.43 . . . . 99.99 111.627 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.31 151.05 59.81 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.456 2.104 . . . . 10.0 110.353 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.01 -1.92 25.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.851 0.358 . . . . 99.99 111.647 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -86.78 131.71 44.45 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.11 -0.495 . . . . 99.99 110.522 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -67.68 143.74 63.19 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.603 2.202 . . . . 10.0 110.831 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -97.73 10.96 34.67 Favored 'Cis proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.757 -1.351 . . . . 10.0 112.393 0.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -62.2 -24.16 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 99.99 111.457 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -4.25 13.1 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.136 0.791 . . . . 99.99 113.136 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -86.34 -19.98 29.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.145 0.424 . . . . 99.99 112.145 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -139.34 -171.4 3.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.73 0.3 . . . . 99.99 110.796 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.6 155.82 41.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.131 -0.486 . . . . 99.99 109.778 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -125.91 127.98 46.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.781 0.324 . . . . 99.99 111.243 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -81.43 131.32 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.311 -0.404 . . . . 99.99 110.471 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -114.39 150.04 35.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.898 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -118.06 107.91 14.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.985 -0.552 . . . . 99.99 110.108 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -92.94 119.39 40.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.684 -0.488 . . . . 99.99 109.684 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.62 109.63 19.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.496 -0.32 . . . . 99.99 110.954 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -87.86 125.85 63.32 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.476 -0.329 . . . . 99.99 110.639 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.54 152.52 33.84 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.332 2.021 . . . . 10.0 111.239 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.15 -14.75 46.85 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.613 2.209 . . . . 10.0 111.754 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -91.91 14.29 16.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.795 -0.639 . . . . 99.99 111.008 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -66.46 144.58 98.73 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.183 -0.673 . . . . 99.99 109.183 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -98.25 26.74 18.03 Favored 'Cis proline' 0 N--CA 1.458 -0.568 0 C-N-CA 124.281 -1.133 . . . . 10.0 112.731 0.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -78.9 -22.85 45.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.401 0.62 . . . . 99.99 109.699 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -116.74 140.08 26.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.311 -0.859 . . . . 99.99 109.972 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.16 143.14 58.14 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.86 2.373 . . . . 10.0 113.081 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.41 143.29 38.55 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.704 2.269 . . . . 10.0 111.617 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.0 mtm -92.23 99.29 12.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.274 -0.421 . . . . 99.99 110.782 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 54.7 mt -104.04 126.08 58.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.21 -0.45 . . . . 99.99 110.002 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -138.42 169.69 17.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.333 -0.394 . . . . 99.99 110.42 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -98.21 127.8 44.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.723 0.297 . . . . 99.99 111.037 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.6 -28.25 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.04 -0.726 . . . . 99.99 109.04 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 m -93.85 131.91 38.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.352 -0.84 . . . . 99.99 109.374 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -66.88 115.41 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 99.99 111.194 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 tt -117.32 127.82 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.127 -0.488 . . . . 99.99 110.893 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.02 77.71 6.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 99.99 110.56 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -123.1 135.17 25.63 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 99.99 109.759 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.67 -6.34 5.66 Favored 'Trans proline' 0 N--CA 1.478 0.559 0 C-N-CA 123.169 2.579 . . . . 10.0 114.195 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -117.24 15.7 14.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.869 0.366 . . . . 99.99 110.605 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.05 140.33 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.762 -0.829 . . . . 99.99 108.762 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.92 179.45 5.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.602 0.239 . . . . 99.99 111.516 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -63.16 -30.61 71.73 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.14 0.422 . . . . 99.99 112.14 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -76.16 -29.65 57.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 99.99 111.036 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.48 24.12 6.91 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.458 -0.657 . . . . 99.99 111.458 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -86.64 150.83 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.194 -0.299 . . . . 99.99 110.194 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pt -137.28 148.47 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.89 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 1.136 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 0.8 OUTLIER -110.31 103.74 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.015 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.5 mp -107.97 122.43 40.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.263 -0.426 . . . . 99.99 110.724 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -70.24 3.7 2.84 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.145 2.563 . . . . 10.0 113.052 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.7 tt -96.47 -20.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.983 0.421 . . . . 99.99 110.361 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.7 pt -126.45 25.02 2.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.416 0.626 . . . . 99.99 110.149 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.3 p -79.69 162.55 25.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.593 -0.731 . . . . 99.99 110.923 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -71.66 -23.53 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.266 0.555 . . . . 99.99 110.238 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -83.77 -45.53 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.536 -0.756 . . . . 99.99 109.855 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -119.29 107.69 13.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.987 -0.551 . . . . 99.99 110.397 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -153.52 135.5 14.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.126 -0.488 . . . . 99.99 110.284 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -133.28 121.69 16.71 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.953 -0.567 . . . . 99.99 109.635 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -64.2 -14.03 41.37 Favored 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 123.192 2.595 . . . . 10.0 112.363 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -17.09 60.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.76 -0.655 . . . . 99.99 111.111 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.35 144.31 30.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.011 -0.541 . . . . 99.99 110.646 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -108.2 171.31 7.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.377 -0.374 . . . . 99.99 110.218 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -59.45 -31.28 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.472 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -50.9 69.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.865 -0.607 . . . . 99.99 111.876 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -68.6 -31.69 71.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.461 -0.336 . . . . 99.99 111.796 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.47 -45.36 89.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.673 -0.492 . . . . 99.99 109.673 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.69 -34.3 77.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.022 -0.536 . . . . 99.99 110.666 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.91 -47.61 79.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.726 -0.472 . . . . 99.99 109.726 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.98 -38.15 81.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.744 -0.662 . . . . 99.99 110.284 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.99 -46.37 88.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.834 -0.621 . . . . 99.99 110.492 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -58.86 -40.41 84.21 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.081 0.467 . . . . 99.99 110.297 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.75 -45.64 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.86 -0.609 . . . . 99.99 110.281 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.57 -30.46 71.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 99.99 111.611 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.2 t -74.83 -49.44 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.59 -0.277 . . . . 99.99 111.01 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -71.3 -32.89 69.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 99.99 111.303 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -117.5 91.04 36.83 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.629 -0.508 . . . . 99.99 109.629 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.01 121.2 7.84 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.966 2.444 . . . . 10.0 111.897 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -76.88 111.84 12.84 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.268 -0.641 . . . . 99.99 109.268 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.2 pt -89.8 -14.95 8.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 99.99 111.651 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -85.3 -30.97 23.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.355 0.598 . . . . 99.99 109.766 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -132.17 66.6 77.73 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.2 -0.909 . . . . 99.99 109.707 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -97.19 174.61 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.955 2.437 . . . . 10.0 112.526 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.15 -15.9 14.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 99.99 109.373 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -127.39 105.71 8.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.511 -0.768 . . . . 99.99 110.51 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 92.5 mtp -69.31 -25.61 64.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.269 -0.423 . . . . 99.99 110.778 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -68.5 -40.78 80.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 99.99 111.474 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.6 mp -84.57 -35.24 22.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.546 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.61 83.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 99.99 111.195 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -63.28 -43.55 97.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.157 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.46 -45.72 84.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.737 -0.665 . . . . 99.99 111.56 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.23 -34.32 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.012 0.434 . . . . 99.99 110.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.2 m -71.03 -34.95 71.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.863 -0.608 . . . . 99.99 110.938 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -82.31 -57.27 3.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.406 -0.361 . . . . 99.99 111.786 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -141.63 104.02 5.88 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.836 0.35 . . . . 99.99 111.163 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.98 -32.46 65.24 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.083 2.522 . . . . 10.0 112.093 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -68.36 -44.03 76.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.425 -0.352 . . . . 99.99 110.552 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 27.5 tp -62.85 -38.93 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.184 0.516 . . . . 99.99 109.92 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -66.76 -42.78 85.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.486 -0.779 . . . . 99.99 109.505 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.3 ttp85 -59.87 -40.56 89.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.697 -0.683 . . . . 99.99 111.347 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -55.85 -57.21 13.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.84 0.353 . . . . 99.99 111.486 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -64.14 -41.52 97.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 99.99 111.629 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.62 81.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.149 -0.478 . . . . 99.99 111.773 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.75 -48.21 75.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.644 -0.253 . . . . 99.99 111.322 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.17 -40.4 89.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.912 0.387 . . . . 99.99 110.059 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -62.99 -45.01 94.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.741 -0.663 . . . . 99.99 110.215 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 31.0 m -64.48 -45.33 87.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.695 -0.684 . . . . 99.99 111.266 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 65.7 mt -79.81 15.89 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.374 . . . . 99.99 111.722 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -127.14 -56.9 1.33 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.884 0.373 . . . . 99.99 111.256 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -89.46 -33.69 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.083 -0.508 . . . . 99.99 111.563 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -63.73 153.6 46.96 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.96 -0.564 . . . . 99.99 113.434 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 15.0 t -83.61 147.54 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.723 -0.843 . . . . 99.99 108.723 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -55.98 137.41 50.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.612 0.244 . . . . 99.99 111.472 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -63.99 121.32 70.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 99.99 110.582 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo . . . . . 0 C--O 1.25 1.116 0 C-N-CA 122.726 2.284 . . . . 10.0 112.284 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ptt? . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.651 0.262 . . . . 99.99 110.436 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -86.39 130.93 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.015 0.436 . . . . 99.99 111.38 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 pt -131.23 168.4 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.052 -0.721 . . . . 99.99 109.052 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -119.76 131.97 55.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.708 0.29 . . . . 99.99 111.341 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -113.64 114.85 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.002 -0.74 . . . . 99.99 109.002 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -103.82 120.47 41.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 99.99 111.364 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.8 p -80.43 177.57 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.661 -0.699 . . . . 99.99 110.827 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 74.5 mt -74.68 -10.69 59.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.919 0.39 . . . . 99.99 111.424 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.09 2.75 49.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.08 0.467 . . . . 99.99 111.072 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.44 -12.39 68.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 99.99 113.107 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -67.82 108.27 2.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.131 -0.322 . . . . 99.99 110.131 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -98.28 119.39 36.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.864 -0.607 . . . . 99.99 109.698 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 pt -105.48 151.17 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.257 -0.429 . . . . 99.99 111.385 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.54 120.39 32.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.902 -0.59 . . . . 99.99 109.819 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 tp -121.2 147.39 45.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.85 0.357 . . . . 99.99 110.574 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -122.25 115.82 23.04 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.128 0.489 . . . . 99.99 111.309 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.1 160.42 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.559 -0.746 . . . . 99.99 109.577 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -106.34 160.16 27.19 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.768 -0.456 . . . . 99.99 109.768 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.09 -25.89 56.9 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.55 2.167 . . . . 10.0 112.573 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.52 -6.27 58.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 99.99 111.951 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.05 143.21 39.46 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.81 0.338 . . . . 99.99 111.091 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 21.7 p -86.83 156.12 20.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 99.99 110.104 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -61.43 -34.92 63.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.905 0.383 . . . . 99.99 110.099 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.67 -41.31 97.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.508 . . . . 99.99 110.164 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -69.19 -34.92 75.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.108 0.48 . . . . 99.99 109.982 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.26 -44.47 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 99.99 109.45 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.478 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 96.5 mttt -60.94 -39.48 89.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.744 -0.662 . . . . 99.99 110.573 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.78 86.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 99.99 110.633 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -67.87 -38.32 82.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 99.99 110.567 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.04 -38.12 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 99.99 109.84 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -67.41 -32.66 73.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.182 0.515 . . . . 99.99 110.116 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.33 -52.34 58.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.677 -0.692 . . . . 99.99 112.085 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -45.1 19.3 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.841 0.682 . . . . 99.99 112.841 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -87.49 -75.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.736 0.303 . . . . 99.99 111.071 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.24 -13.87 3.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.648 -0.787 . . . . 99.99 111.969 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.1 mt -57.53 123.21 60.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.264 . . . . 99.99 110.488 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.74 136.53 76.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.958 2.438 . . . . 10.0 111.622 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.58 -27.08 67.77 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.188 2.592 . . . . 10.0 111.751 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.91 -26.84 65.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.48 -0.782 . . . . 99.99 110.51 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -102.09 12.7 36.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.381 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -99.93 104.5 16.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.084 0.401 . . . . 99.99 112.084 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -105.33 90.68 3.5 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.95 -0.759 . . . . 99.99 108.95 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 mt -82.68 125.42 31.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.705 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 29.6 mm -115.59 134.53 58.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.877 -0.601 . . . . 99.99 110.422 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -151.89 134.67 15.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.602 -0.518 . . . . 99.99 109.602 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.86 27.82 17.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.056 0.455 . . . . 99.99 111.592 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.32 -2.1 83.02 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.771 -0.65 . . . . 99.99 113.694 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -119.75 160.92 21.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.991 0.424 . . . . 99.99 111.827 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -84.58 136.99 33.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.612 -0.722 . . . . 99.99 110.746 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -79.64 112.76 17.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.167 -0.47 . . . . 99.99 110.08 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -76.27 130.39 38.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.982 -0.553 . . . . 99.99 110.898 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.478 ' CG ' ' HZ2' ' B' ' 27' ' ' LYS . 5.3 m-20 -53.33 -40.26 64.73 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.164 0.801 . . . . 99.99 113.164 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.93 19.19 7.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.907 -0.663 . . . . 99.99 113.987 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -123.41 168.93 11.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.249 0.524 . . . . 99.99 110.552 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 20.4 p -108.96 173.94 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.412 -0.358 . . . . 99.99 110.878 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 52.1 mt -65.59 -31.38 72.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 99.99 111.228 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -22.21 63.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 99.99 111.313 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.47 -29.65 70.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.137 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -110.47 8.51 23.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 99.99 110.127 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 57.44 43.92 22.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.491 -0.777 . . . . 99.99 111.407 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -76.23 120.2 25.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 99.99 109.908 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -102.42 -172.39 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.051 -0.522 . . . . 99.99 110.271 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -74.3 155.1 38.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.603 0.24 . . . . 99.99 111.334 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 63.64 21.99 12.95 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.698 0.629 . . . . 99.99 112.698 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.3 m -86.84 139.8 30.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.676 -0.238 . . . . 99.99 110.425 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -100.67 119.96 39.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.866 0.365 . . . . 99.99 111.249 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 73.1 mt -97.28 139.87 32.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.356 -0.609 . . . . 99.99 109.356 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -94.2 112.37 24.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.106 -0.331 . . . . 99.99 110.106 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 tp -95.77 105.18 17.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.07 0.462 . . . . 99.99 111.585 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.3 t -93.67 123.8 45.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.733 -0.667 . . . . 99.99 109.21 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mp -76.3 108.3 9.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.137 -0.483 . . . . 99.99 110.783 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 -77.74 90.63 4.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.909 -0.587 . . . . 99.99 110.105 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -72.22 109.96 6.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.099 0.476 . . . . 99.99 110.866 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -114.76 132.4 56.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.765 -0.652 . . . . 99.99 110.071 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.66 -36.28 2.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.612 -0.804 . . . . 99.99 112.663 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 1.136 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 62.6 m . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.445 -0.788 . . . . 99.99 110.772 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.477 0.18 . . . . 99.99 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -39.64 49.33 Favored 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 112.349 0.5 . . . . 99.99 112.349 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.3 mtm -53.17 -54.7 31.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.732 0.301 . . . . 99.99 111.779 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -71.62 -37.2 70.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.615 -0.266 . . . . 99.99 111.615 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.0 t -57.61 -48.57 82.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.782 0.325 . . . . 99.99 110.433 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.83 -36.12 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 99.99 110.307 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.46 -46.29 83.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 99.99 110.538 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.54 -34.08 73.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 99.99 110.19 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.64 -45.92 91.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.545 -0.909 . . . . 99.99 108.545 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -63.04 -43.74 97.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.676 -0.693 . . . . 99.99 109.672 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -54.68 -53.92 48.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.878 -0.601 . . . . 99.99 110.82 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.56 -25.61 61.42 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.103 0.779 . . . . 99.99 113.103 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -79.15 -32.7 44.44 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.696 -0.402 . . . . 99.99 111.019 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -74.57 -38.88 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.329 -0.619 . . . . 99.99 109.329 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -128.4 81.25 70.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.621 -0.718 . . . . 99.99 109.523 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.66 134.8 18.9 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.987 2.458 . . . . 10.0 112.366 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -64.3 145.98 89.34 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.609 2.206 . . . . 10.0 110.744 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -61.27 -14.99 37.36 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.795 2.33 . . . . 10.0 112.814 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -108.29 11.32 27.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.409 -0.36 . . . . 99.99 111.494 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.2 tp -132.81 124.1 27.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.674 0.273 . . . . 99.99 110.586 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -133.52 163.17 30.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.362 -0.381 . . . . 99.99 110.617 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.9 t30 57.64 31.8 20.92 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.796 -0.638 . . . . 99.99 112.343 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 tp -69.63 104.87 2.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.946 0.403 . . . . 99.99 110.821 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.99 164.67 27.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.061 -0.518 . . . . 99.99 110.273 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 p -87.9 161.09 17.67 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.592 -0.521 . . . . 99.99 109.592 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.49 145.33 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.647 -0.501 . . . . 99.99 109.647 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -52.69 -40.59 63.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.486 0.551 . . . . 99.99 112.486 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.86 -31.71 6.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.691 0.626 . . . . 99.99 112.691 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -100.32 121.95 42.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.269 0.557 . . . . 99.99 112.294 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.19 -15.2 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.138 -0.483 . . . . 99.99 110.726 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.4 mt -93.47 10.52 32.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.206 -0.452 . . . . 99.99 111.424 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.9 t -126.96 125.99 67.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.805 0.336 . . . . 99.99 110.382 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 48.7 m0 -103.95 144.29 31.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.251 -0.432 . . . . 99.99 110.959 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -126.27 115.57 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.093 -1.077 . . . . 99.99 108.093 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.73 169.7 17.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 99.99 112.046 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -113.39 129.46 56.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.599 -0.728 . . . . 99.99 110.378 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.1 tp -94.35 132.45 38.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.144 -0.687 . . . . 99.99 109.144 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -112.52 90.36 14.51 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.168 -0.469 . . . . 99.99 110.731 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.59 146.88 68.95 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.407 2.071 . . . . 10.0 111.622 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -99.53 -28.44 13.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 99.99 110.706 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.81 129.64 86.44 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.888 -0.596 . . . . 99.99 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.92 150.79 67.74 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.739 2.293 . . . . 10.0 110.919 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -92.64 15.41 46.13 Favored 'Cis proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.962 -1.266 . . . . 10.0 112.255 -0.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -70.29 -9.91 57.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.574 0.702 . . . . 99.99 110.268 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -78.34 -11.31 59.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.41 -0.814 . . . . 99.99 110.827 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.92 -39.49 66.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.828 0.307 . . . . 99.99 111.828 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -132.66 -160.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.57 -0.286 . . . . 99.99 110.571 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -132.5 168.03 18.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.758 -0.46 . . . . 99.99 109.758 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -131.39 143.65 50.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.596 0.236 . . . . 99.99 110.666 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -93.5 135.47 34.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.739 0.304 . . . . 99.99 110.794 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 pp -122.38 151.36 41.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.149 -0.478 . . . . 99.99 111.104 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -122.88 112.96 18.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.723 -0.671 . . . . 99.99 110.235 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.1 mt -99.53 112.78 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.58 -0.526 . . . . 99.99 109.58 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -108.35 120.46 42.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.918 0.39 . . . . 99.99 111.019 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -93.54 128.53 41.84 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.067 -0.515 . . . . 99.99 110.787 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.438 ' C ' ' H ' ' A' ' 59' ' ' GLU . 58.2 Cg_endo -72.81 155.29 53.74 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.442 2.095 . . . . 10.0 111.045 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.24 12.52 0.62 Allowed 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.797 2.331 . . . . 10.0 112.061 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 57' ' ' PRO . 17.0 mt-10 -120.42 17.67 12.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.645 -0.707 . . . . 99.99 109.559 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -67.95 144.06 96.83 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 99.99 110.196 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -97.37 25.01 21.51 Favored 'Cis proline' 0 C--N 1.347 0.49 0 C-N-CA 124.017 -1.243 . . . . 10.0 112.895 0.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -73.61 -29.23 62.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.204 0.526 . . . . 99.99 109.961 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -110.11 142.9 26.9 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.594 -0.73 . . . . 99.99 109.996 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.04 144.0 62.1 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.882 2.388 . . . . 10.0 113.467 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.25 133.62 16.45 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.683 2.255 . . . . 10.0 111.01 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.3 mtm -87.32 107.79 18.67 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.029 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.5 mt -108.25 118.35 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.134 -0.485 . . . . 99.99 110.122 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -128.68 159.36 35.87 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.006 -0.368 . . . . 99.99 110.006 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -85.97 140.85 29.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.772 0.32 . . . . 99.99 110.51 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.87 4.51 45.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.385 0.612 . . . . 99.99 109.723 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.34 155.99 48.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.687 -0.688 . . . . 99.99 109.571 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -82.98 104.04 12.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.961 0.41 . . . . 99.99 111.453 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.1 tt -104.35 124.01 58.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.079 -0.51 . . . . 99.99 110.699 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -78.2 74.53 4.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.914 -0.584 . . . . 99.99 110.425 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -123.32 132.71 24.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 99.99 110.123 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.0 -20.83 47.01 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.18 2.587 . . . . 10.0 114.179 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -107.5 18.25 21.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.752 0.311 . . . . 99.99 111.49 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.6 t -133.3 140.25 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.69 -0.485 . . . . 99.99 109.69 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -88.44 157.95 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 99.99 110.189 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.45 -24.06 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.934 0.716 . . . . 99.99 112.934 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -83.94 -1.36 54.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.327 0.584 . . . . 99.99 110.197 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.89 19.38 43.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.982 -0.627 . . . . 99.99 111.608 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -85.57 145.55 27.31 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.18 -0.304 . . . . 99.99 110.18 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.2 pt -134.59 176.23 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.565 -0.289 . . . . 99.99 110.574 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 1.3 m -137.85 102.93 4.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.621 -0.718 . . . . 99.99 109.121 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tp -118.37 116.77 35.16 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 116.203 -0.453 . . . . 99.99 110.846 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.9 -0.26 3.08 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.197 2.598 . . . . 10.0 113.301 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -95.04 -25.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.726 0.298 . . . . 99.99 111.234 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.8 pt -104.6 -27.43 3.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.982 -0.287 . . . . 99.99 111.367 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.8 p -51.95 142.36 15.81 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.881 -0.6 . . . . 99.99 110.367 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -7.58 1.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.29 0.478 . . . . 99.99 112.29 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -71.96 -28.23 63.3 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.38 -0.373 . . . . 99.99 111.344 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -153.63 41.3 0.53 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.058 0.456 . . . . 99.99 111.634 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -83.27 127.99 34.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.041 0.448 . . . . 99.99 111.455 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -122.24 122.59 27.45 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.697 -0.683 . . . . 99.99 109.466 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.88 -18.09 47.54 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.301 2.668 . . . . 10.0 113.424 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.4 p -78.34 -12.03 59.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 99.99 111.301 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -80.43 134.52 36.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 99.99 110.591 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -90.48 161.47 15.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.162 -0.472 . . . . 99.99 110.416 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -64.89 -27.76 69.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.096 -0.502 . . . . 99.99 110.157 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.74 -37.5 86.83 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.916 -0.584 . . . . 99.99 110.166 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -70.9 -35.67 72.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 99.99 109.818 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.91 -46.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.64 -0.709 . . . . 99.99 109.856 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.37 -33.22 74.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.875 -0.602 . . . . 99.99 110.485 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.66 -49.71 67.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.862 -0.608 . . . . 99.99 109.672 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.15 -39.49 90.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 99.99 109.983 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.99 -48.79 80.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.789 -0.641 . . . . 99.99 109.906 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -57.44 -39.95 77.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 99.99 110.659 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.78 -48.4 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.985 -0.552 . . . . 99.99 110.187 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.52 -31.99 73.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 99.99 112.007 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.7 t -72.21 -48.24 49.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.59 -0.277 . . . . 99.99 110.691 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -73.81 -31.38 63.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.983 0.42 . . . . 99.99 111.682 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -119.54 95.39 49.21 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.384 -0.599 . . . . 99.99 109.384 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.11 122.4 9.48 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.977 2.451 . . . . 10.0 113.265 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -79.25 92.29 5.1 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.232 -0.655 . . . . 99.99 109.232 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.7 pt -72.96 -10.68 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 99.99 112.002 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -74.64 -42.47 58.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.614 -0.513 . . . . 99.99 109.614 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -134.99 77.34 56.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.519 -0.764 . . . . 99.99 109.951 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -97.15 177.89 0.5 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.284 2.656 . . . . 10.0 112.433 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.8 mp -100.87 -43.29 6.13 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.311 -0.626 . . . . 99.99 109.311 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -101.75 103.63 14.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.535 -0.757 . . . . 99.99 110.196 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.7 mtp -56.75 -44.63 81.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.537 -0.756 . . . . 99.99 110.996 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -57.49 -48.33 79.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.727 -0.669 . . . . 99.99 112.504 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.83 -39.83 94.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.468 -0.333 . . . . 99.99 111.618 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.66 74.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.966 0.412 . . . . 99.99 110.571 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -60.11 -53.05 62.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.703 -0.68 . . . . 99.99 109.615 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 12.9 tp -55.64 -45.47 77.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.224 -0.898 . . . . 99.99 112.048 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 67.4 tp -62.4 -31.96 72.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 99.99 111.628 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.9 m -79.76 -26.47 40.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.233 -0.44 . . . . 99.99 111.056 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -87.44 -51.66 5.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.244 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -140.77 106.63 6.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.724 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.13 -35.78 51.15 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.688 2.259 . . . . 10.0 112.103 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -68.78 -39.37 80.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 99.99 111.177 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.7 tp -62.65 -42.69 99.75 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.95 0.405 . . . . 99.99 110.356 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -70.29 -39.12 75.06 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.347 -0.612 . . . . 99.99 109.347 178.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -58.6 -48.25 81.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.766 -0.652 . . . . 99.99 110.833 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -58.42 -43.31 88.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.995 0.426 . . . . 99.99 110.796 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -66.25 -50.43 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 99.99 111.64 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.84 91.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.265 -0.425 . . . . 99.99 110.922 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.82 -50.43 73.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 99.99 109.972 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -56.72 -46.19 81.43 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.395 -0.82 . . . . 99.99 110.544 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.35 -40.87 90.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.023 -0.535 . . . . 99.99 112.119 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.3 m -63.89 -35.92 82.22 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.292 0.568 . . . . 99.99 111.097 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.0 mt -90.6 10.62 24.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 99.99 110.826 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -119.36 -49.1 2.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.349 -0.387 . . . . 99.99 111.269 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -121.91 33.74 5.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.361 -0.381 . . . . 99.99 110.96 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -112.72 151.77 18.1 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.831 -0.7 . . . . 99.99 112.148 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.5 t -80.84 156.65 4.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.979 -0.749 . . . . 99.99 108.979 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.47 150.65 26.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.796 0.331 . . . . 99.99 111.679 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -91.4 111.36 48.58 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.015 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo . . . . . 0 C--O 1.25 1.11 0 C-N-CA 122.752 2.301 . . . . 10.0 111.376 179.263 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.307 -0.257 . . . . 99.99 110.307 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -97.27 128.77 44.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.331 -0.395 . . . . 99.99 111.515 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -130.74 165.97 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.156 -0.683 . . . . 99.99 109.156 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -122.9 130.7 53.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.737 0.303 . . . . 99.99 110.853 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 t -115.08 111.61 36.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.803 -0.443 . . . . 99.99 109.803 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -101.4 128.43 47.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.925 0.393 . . . . 99.99 110.915 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 21.5 p -94.22 175.57 6.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.803 -0.635 . . . . 99.99 110.278 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.55 -8.34 55.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.374 -0.375 . . . . 99.99 111.806 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.9 p -97.28 2.73 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.035 0.445 . . . . 99.99 111.06 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.28 -9.87 71.26 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.974 -0.631 . . . . 99.99 112.171 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -70.73 102.96 2.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.066 0.46 . . . . 99.99 110.091 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -96.7 110.4 22.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.787 -0.642 . . . . 99.99 110.023 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 27.2 pt -104.58 140.46 22.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.17 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 146.37 28.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.662 -0.866 . . . . 99.99 108.662 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 tp -136.19 133.5 37.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.147 0.499 . . . . 99.99 111.5 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -100.3 103.33 14.75 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.745 -0.661 . . . . 99.99 110.311 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.05 156.05 24.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.498 -0.774 . . . . 99.99 109.752 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -104.3 162.75 18.94 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.742 -0.836 . . . . 99.99 108.742 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.16 -26.15 58.91 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.089 1.86 . . . . 10.0 111.227 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.47 -10.99 59.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.343 -0.844 . . . . 99.99 112.108 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.55 130.76 43.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.994 0.426 . . . . 99.99 111.093 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.04 152.38 29.43 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.967 -0.753 . . . . 99.99 108.967 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.0 mm -56.72 -36.58 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.989 0.423 . . . . 99.99 110.906 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.53 -41.68 97.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.011 -0.54 . . . . 99.99 110.196 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.17 -34.76 78.23 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.081 0.467 . . . . 99.99 109.858 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.05 -45.16 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.612 -0.722 . . . . 99.99 109.219 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.45 -37.1 85.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 99.99 110.936 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.95 98.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 99.99 110.415 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.91 -35.24 79.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.556 . . . . 99.99 110.818 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.54 -40.16 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.588 -0.523 . . . . 99.99 109.588 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -67.04 -26.63 66.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.3 0.572 . . . . 99.99 109.705 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.18 -45.48 73.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.431 -0.804 . . . . 99.99 111.216 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -85.85 -54.76 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.007 0.743 . . . . 99.99 113.007 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -79.23 -55.33 5.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.069 0.461 . . . . 99.99 111.746 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.22 -6.12 15.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.566 -0.826 . . . . 99.99 112.279 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.8 mt -66.57 121.74 78.65 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.037 -0.357 . . . . 99.99 110.037 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -62.17 140.72 85.11 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.568 2.179 . . . . 10.0 111.265 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.45 -23.21 37.73 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.189 2.593 . . . . 10.0 112.437 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.93 -32.24 73.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.891 -0.595 . . . . 99.99 110.989 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -99.82 3.41 44.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.799 -0.637 . . . . 99.99 111.201 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -91.28 97.56 11.19 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.103 0.408 . . . . 99.99 112.103 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -98.1 88.8 4.31 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.864 -0.791 . . . . 99.99 108.864 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 39.6 mt -80.71 120.98 25.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.603 -0.726 . . . . 99.99 111.996 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.54 129.32 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 99.99 109.598 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -131.15 120.87 23.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.577 -0.283 . . . . 99.99 110.933 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.04 19.17 5.73 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.12 0.785 . . . . 99.99 113.12 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.57 -4.7 50.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 99.99 113.027 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -110.45 149.28 30.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 99.99 111.222 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -84.65 130.32 34.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.895 -0.593 . . . . 99.99 109.605 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.2 mt -79.54 109.58 14.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.349 -0.387 . . . . 99.99 111.116 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -79.03 130.12 35.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.047 -0.524 . . . . 99.99 110.2 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -53.0 -34.3 55.64 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.632 0.975 . . . . 99.99 113.632 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.16 -13.69 82.52 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.858 -0.687 . . . . 99.99 114.18 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -97.55 163.8 12.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.299 0.549 . . . . 99.99 111.401 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 76.6 p -102.34 177.79 4.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.184 -0.462 . . . . 99.99 110.43 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 mt -69.25 -32.62 71.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.998 0.427 . . . . 99.99 110.225 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -14.85 63.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 99.99 111.38 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.45 -27.73 64.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.401 . . . . 99.99 111.652 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -112.35 10.54 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.28 -0.418 . . . . 99.99 111.182 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 59.72 41.55 18.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.407 0.622 . . . . 99.99 111.175 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.4 mt -75.58 122.68 29.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.829 -0.623 . . . . 99.99 109.833 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -104.39 -173.9 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.2 -0.455 . . . . 99.99 110.916 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 151.84 41.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.335 -0.393 . . . . 99.99 111.347 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 66.22 16.85 10.58 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.116 0.784 . . . . 99.99 113.116 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.5 m -77.87 139.61 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.245 -0.28 . . . . 99.99 110.245 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -102.84 116.75 33.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.138 0.494 . . . . 99.99 111.327 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 49.5 mt -94.28 150.39 20.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.095 -0.706 . . . . 99.99 109.095 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -105.33 114.82 29.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.908 -0.404 . . . . 99.99 109.908 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 46.7 tp -96.68 108.15 20.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.032 0.444 . . . . 99.99 111.259 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.1 t -97.62 130.05 46.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.767 -0.651 . . . . 99.99 109.314 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 33.2 tp -76.58 140.67 41.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.368 -0.378 . . . . 99.99 110.879 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 29.9 ttp85 -115.2 131.05 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.042 -0.527 . . . . 99.99 110.572 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.5 mt -101.65 125.54 48.32 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.89 -0.411 . . . . 99.99 109.89 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -84.87 -10.87 56.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.877 0.37 . . . . 99.99 111.351 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.51 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -173.98 160.12 29.86 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.484 -0.865 . . . . 99.99 112.326 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.782 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.485 -1.245 . . . . 99.99 108.9 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.805 0.336 . . . . 99.99 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -25.18 65.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 99.99 112.003 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.6 ttt -53.49 -46.31 69.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 99.99 111.567 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -79.11 -36.86 40.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.894 -0.323 . . . . 99.99 110.408 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -55.3 -47.86 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.537 . . . . 99.99 111.424 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.29 -41.01 89.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.909 0.385 . . . . 99.99 110.601 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -66.53 -43.87 83.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.072 -0.513 . . . . 99.99 111.057 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.94 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.973 -0.558 . . . . 99.99 110.503 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.0 tp -59.61 -50.96 71.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 99.99 110.94 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -57.41 -48.05 80.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.001 -0.545 . . . . 99.99 111.347 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.38 -43.61 93.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.147 0.425 . . . . 99.99 112.147 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.1 mt -67.67 -25.43 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.367 -0.379 . . . . 99.99 111.517 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -79.25 -17.06 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 99.99 110.498 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -81.15 -48.37 12.22 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.218 -0.66 . . . . 99.99 109.218 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -124.41 73.77 60.29 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.392 -0.822 . . . . 99.99 110.826 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.92 130.45 8.52 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.661 2.241 . . . . 10.0 111.178 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.84 149.82 81.29 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.615 2.21 . . . . 10.0 111.095 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.48 -27.86 51.74 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 123.014 2.476 . . . . 10.0 113.611 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -88.78 2.28 53.77 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.538 0.57 . . . . 99.99 112.538 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 tp -123.89 113.41 18.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 99.99 110.185 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -122.88 158.14 30.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.41 -0.359 . . . . 99.99 111.437 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 56.6 32.91 21.81 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.945 0.72 . . . . 99.99 112.945 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.8 tp -65.47 109.19 2.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.119 0.485 . . . . 99.99 110.869 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -147.11 168.4 21.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.912 -0.585 . . . . 99.99 110.783 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 p -96.08 160.47 14.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.246 -0.434 . . . . 99.99 109.907 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.88 146.3 54.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.834 -0.432 . . . . 99.99 109.834 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.96 -18.53 64.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.973 -0.558 . . . . 99.99 112.361 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.55 -1.88 11.59 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.046 0.758 . . . . 99.99 113.046 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -157.54 130.99 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 99.99 111.323 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -79.86 -17.97 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.295 -0.412 . . . . 99.99 111.161 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -82.89 3.88 27.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 99.99 111.783 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.4 t -121.98 121.54 64.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.656 -0.498 . . . . 99.99 109.656 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -105.07 146.0 29.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.196 0.522 . . . . 99.99 111.942 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -124.29 121.67 35.65 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.908 -1.145 . . . . 99.99 107.908 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.32 155.86 40.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.954 0.406 . . . . 99.99 111.719 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.3 mt -106.51 122.16 45.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.716 -0.674 . . . . 99.99 109.869 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.2 tp -93.03 131.9 37.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.867 -0.419 . . . . 99.99 109.867 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.6 mp -113.0 94.37 29.55 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.134 -0.484 . . . . 99.99 110.662 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.12 150.31 53.72 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.675 2.25 . . . . 10.0 111.33 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -97.9 -36.19 10.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.904 0.383 . . . . 99.99 111.266 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.95 128.79 89.64 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.797 -0.638 . . . . 99.99 111.143 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -69.57 148.73 66.94 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.658 2.239 . . . . 10.0 110.998 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -96.33 23.46 25.15 Favored 'Cis proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.719 -1.367 . . . . 10.0 112.279 0.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -69.8 -9.02 53.08 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.409 0.623 . . . . 99.99 110.291 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -74.32 -15.5 60.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.417 -0.811 . . . . 99.99 110.676 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.38 -44.86 86.24 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.686 0.624 . . . . 99.99 112.686 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -132.26 -162.78 1.26 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.852 0.358 . . . . 99.99 111.322 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.49 167.94 15.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 99.99 109.405 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -132.52 132.87 43.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 99.99 111.05 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -88.75 131.61 34.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.465 -0.334 . . . . 99.99 110.566 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 pp -118.13 150.59 39.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.407 -0.361 . . . . 99.99 111.091 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -116.0 114.78 25.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.005 -0.543 . . . . 99.99 110.387 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.5 mt -98.96 108.66 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.411 -0.589 . . . . 99.99 109.411 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -104.19 111.87 24.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.917 0.389 . . . . 99.99 110.877 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -84.78 133.74 43.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.113 -0.494 . . . . 99.99 110.699 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -79.84 154.5 23.14 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.664 2.242 . . . . 10.0 111.193 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -63.17 -15.06 45.66 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.701 2.267 . . . . 10.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -93.94 8.9 39.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.451 -0.34 . . . . 99.99 111.549 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -60.19 141.64 90.46 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 110.241 -0.281 . . . . 99.99 110.241 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -97.2 27.87 17.25 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 124.315 -1.119 . . . . 10.0 113.217 0.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -85.62 -12.74 50.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.367 0.603 . . . . 99.99 109.854 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.96 137.03 27.5 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.23 -0.895 . . . . 99.99 109.113 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.67 139.75 53.97 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.675 2.25 . . . . 10.0 112.689 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.21 145.2 38.55 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.673 2.249 . . . . 10.0 111.219 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 76.2 mtm -94.66 109.75 21.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.326 -0.397 . . . . 99.99 110.554 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 51.4 mt -110.16 126.68 67.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.179 -0.464 . . . . 99.99 110.579 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 158.45 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.052 -0.522 . . . . 99.99 109.657 179.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -90.89 120.04 31.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.71 0.291 . . . . 99.99 111.589 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -66.52 -45.61 78.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.319 -0.993 . . . . 99.99 108.319 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.05 145.9 26.3 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.307 -0.861 . . . . 99.99 108.686 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -82.01 132.79 35.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.95 0.405 . . . . 99.99 111.936 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.6 tt -125.07 128.31 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.83 -0.623 . . . . 99.99 111.539 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -76.42 80.35 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.781 -0.645 . . . . 99.99 109.987 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -130.6 136.34 28.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.211 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -62.04 -9.47 14.7 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.365 2.71 . . . . 10.0 114.034 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -113.67 18.05 17.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.9 0.381 . . . . 99.99 110.777 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.0 t -129.24 139.7 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.157 -0.683 . . . . 99.99 109.157 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.43 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -82.19 169.05 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.709 -0.223 . . . . 99.99 111.121 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.1 -24.98 67.45 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.168 0.803 . . . . 99.99 113.168 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.43 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 11.3 t30 -84.68 -39.91 18.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 99.99 111.204 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.33 18.33 1.18 Allowed Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 116.018 -0.537 . . . . 99.99 111.919 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.45 146.63 25.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 99.99 110.804 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.47 158.09 43.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.012 -0.54 . . . . 99.99 110.438 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 m -115.63 101.45 8.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.063 0.459 . . . . 99.99 109.981 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.9 tp -107.51 111.72 62.74 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.937 -0.574 . . . . 99.99 110.3 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.95 -15.95 35.96 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.215 2.61 . . . . 10.0 113.529 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 tt -75.93 -20.15 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.983 0.42 . . . . 99.99 111.161 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 pt -129.02 32.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.318 0.58 . . . . 99.99 109.554 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.3 p -83.12 161.45 21.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.578 -0.737 . . . . 99.99 111.11 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -68.23 -17.67 64.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.867 -0.606 . . . . 99.99 111.264 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -103.22 -17.53 15.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.252 -0.431 . . . . 99.99 111.325 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -137.55 97.57 3.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.884 -0.413 . . . . 99.99 109.884 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 35.4 t-105 -149.78 133.99 17.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.068 -0.515 . . . . 99.99 110.215 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -131.87 123.4 19.07 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.973 -0.558 . . . . 99.99 109.724 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.16 -20.01 66.04 Favored 'Trans proline' 0 N--CA 1.475 0.423 0 C-N-CA 123.127 2.551 . . . . 10.0 112.92 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.26 -13.31 60.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.197 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.5 m -81.78 133.59 35.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.07 -0.514 . . . . 99.99 110.284 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -103.52 166.31 10.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.159 -0.473 . . . . 99.99 110.682 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m -58.91 -32.09 69.22 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.126 0.417 . . . . 99.99 112.126 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.51 -32.65 71.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.934 0.397 . . . . 99.99 111.504 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -78.64 -39.37 37.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.008 0.432 . . . . 99.99 110.283 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.3 -43.94 97.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 99.99 110.084 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.25 -37.11 84.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.869 -0.605 . . . . 99.99 111.192 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.43 -47.56 72.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.585 -0.524 . . . . 99.99 109.585 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.01 94.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.886 -0.597 . . . . 99.99 110.362 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.38 -46.86 88.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 99.99 110.375 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.27 -41.33 84.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.122 -0.49 . . . . 99.99 110.741 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.52 -43.59 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.442 . . . . 99.99 110.047 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.11 -34.73 76.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.023 -0.535 . . . . 99.99 110.934 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -72.69 -45.15 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.289 -0.414 . . . . 99.99 111.038 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -73.28 -32.76 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.36 -0.382 . . . . 99.99 111.984 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -106.9 97.63 18.34 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.223 -0.444 . . . . 99.99 110.533 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.48 108.93 2.33 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.731 2.287 . . . . 10.0 112.079 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -78.7 107.71 11.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.925 -0.579 . . . . 99.99 110.484 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 36.3 pt -90.45 -6.98 10.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.002 -0.544 . . . . 99.99 111.712 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -50.6 9.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.247 0.546 . . . . 99.99 109.789 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -126.67 74.22 75.0 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.55 -0.75 . . . . 99.99 109.014 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -98.11 177.66 0.43 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.165 2.577 . . . . 10.0 112.836 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.2 mp -100.1 -26.74 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.57 -0.741 . . . . 99.99 109.109 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -121.82 103.27 8.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.258 -0.883 . . . . 99.99 110.189 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 89.9 mtp -65.16 -31.38 72.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 99.99 110.933 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -62.87 -47.97 81.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.904 -0.589 . . . . 99.99 111.079 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.12 -36.97 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 99.99 111.392 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.8 80.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.068 0.461 . . . . 99.99 110.522 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.34 -45.99 82.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 99.99 110.03 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 42.9 tp -57.91 -44.71 86.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 99.99 111.893 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.22 -30.97 70.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 99.99 111.514 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.3 m -84.37 -30.51 25.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.239 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -78.51 -49.35 13.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.479 -0.328 . . . . 99.99 110.781 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -145.31 99.51 4.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.382 -0.372 . . . . 99.99 111.196 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.47 -34.41 86.05 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.888 2.392 . . . . 10.0 111.684 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -66.3 -45.29 80.9 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.515 -0.311 . . . . 99.99 110.546 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 17.9 tp -61.15 -40.19 92.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.988 0.423 . . . . 99.99 110.242 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -67.24 -47.98 69.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.915 -0.584 . . . . 99.99 109.743 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -60.13 -41.73 93.31 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.799 -0.637 . . . . 99.99 110.635 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -61.05 -47.08 88.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.804 -0.634 . . . . 99.99 110.619 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -65.0 -47.11 78.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.555 -0.748 . . . . 99.99 110.645 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.2 -34.55 78.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.75 -0.659 . . . . 99.99 111.513 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -58.47 -49.09 78.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.393 -0.367 . . . . 99.99 110.638 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.73 -45.2 90.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.962 -0.563 . . . . 99.99 110.424 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -60.67 -43.11 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.86 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.9 m -64.45 -35.9 82.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 99.99 111.147 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.0 mt -87.68 1.96 52.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.329 0.585 . . . . 99.99 110.91 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -105.63 -50.17 3.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.631 . . . . 99.99 110.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -125.95 57.64 1.37 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 99.99 110.312 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -127.91 150.32 18.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.781 -0.723 . . . . 99.99 111.572 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 31.3 t -83.2 151.38 4.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.427 -0.583 . . . . 99.99 109.427 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -61.99 132.24 52.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.761 0.315 . . . . 99.99 110.693 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -96.74 114.1 63.94 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.921 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--O 1.246 0.92 0 C-N-CA 123.362 2.708 . . . . 10.0 111.745 179.732 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 121.121 0.486 . . . . 99.99 110.791 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -94.3 126.98 39.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.904 -0.589 . . . . 99.99 110.552 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -120.54 168.34 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.107 -0.497 . . . . 99.99 109.804 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -121.23 131.92 54.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.741 0.305 . . . . 99.99 110.512 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.7 t -112.59 114.04 45.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.958 -0.756 . . . . 99.99 108.958 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -107.27 126.97 53.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.337 -0.392 . . . . 99.99 111.331 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.9 p -90.0 165.52 14.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.039 -0.528 . . . . 99.99 110.229 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.77 -17.32 64.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.949 0.404 . . . . 99.99 111.083 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.14 -9.74 56.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 99.99 111.96 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.32 -28.06 14.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 99.99 112.477 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -55.84 118.75 4.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.741 0.305 . . . . 99.99 110.472 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -114.92 128.86 56.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.908 -0.587 . . . . 99.99 110.077 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 pt -121.78 157.45 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.918 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.27 151.34 21.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.322 -0.399 . . . . 99.99 110.097 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.7 tp -144.87 134.47 23.35 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.981 0.42 . . . . 99.99 111.62 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -96.24 108.15 20.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 99.99 109.96 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.7 m -135.55 165.82 29.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.156 -0.475 . . . . 99.99 110.653 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -110.74 159.07 33.76 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 109.483 -0.562 . . . . 99.99 109.483 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.8 -20.79 70.47 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.227 1.951 . . . . 10.0 111.732 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -95.93 11.48 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 99.99 111.858 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.22 133.14 35.02 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.562 -0.533 . . . . 99.99 109.562 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.2 153.18 28.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.692 -0.231 . . . . 99.99 110.804 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -57.6 -39.3 68.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.54 -0.3 . . . . 99.99 111.531 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.45 -38.28 86.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 99.99 110.504 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -69.36 -35.51 75.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 99.99 110.285 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.46 -43.48 98.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 99.99 109.564 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -59.23 -40.69 86.7 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.721 -0.672 . . . . 99.99 110.992 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.962 -0.563 . . . . 99.99 110.629 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -69.32 -32.85 72.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.965 -0.561 . . . . 99.99 110.585 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.15 -43.24 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 99.99 110.252 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -65.96 -32.93 74.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.009 0.433 . . . . 99.99 110.787 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -61.25 -40.51 94.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.915 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -85.94 -44.72 12.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.618 0.599 . . . . 99.99 112.618 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -87.28 -74.14 0.45 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.78 0.324 . . . . 99.99 111.183 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.9 -24.7 1.78 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.68 -0.771 . . . . 99.99 112.177 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.0 mt -57.61 119.19 30.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 C-N-CA 122.451 0.301 . . . . 99.99 111.063 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.41 141.22 94.88 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.856 2.37 . . . . 10.0 111.766 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.39 -24.33 51.49 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.433 2.756 . . . . 10.0 112.622 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.83 -33.06 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 99.99 110.623 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.14 6.94 47.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.984 -0.553 . . . . 99.99 111.269 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -95.26 124.53 39.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.904 0.383 . . . . 99.99 111.179 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -120.37 99.36 6.53 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.167 -0.679 . . . . 99.99 109.167 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.9 mt -86.67 122.82 31.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.663 0.616 . . . . 99.99 112.663 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 25.4 mm -117.76 130.67 72.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 99.99 109.762 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -141.47 125.84 17.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.596 -0.275 . . . . 99.99 110.509 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.82 22.01 12.08 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.469 0.48 . . . . 99.99 112.282 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.08 0.74 82.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.849 -0.691 . . . . 99.99 112.126 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -111.29 152.89 26.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.149 -0.315 . . . . 99.99 110.149 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.7 129.16 36.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.764 -0.458 . . . . 99.99 109.764 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 65.7 mt -76.43 117.08 17.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 99.99 111.191 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -75.81 125.77 29.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 99.99 110.212 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.48 -33.39 44.51 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.196 0.813 . . . . 99.99 113.196 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.44 -2.16 90.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.884 -0.674 . . . . 99.99 113.768 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -98.71 169.35 9.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.127 0.463 . . . . 99.99 111.197 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.79 160.86 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.675 -0.693 . . . . 99.99 110.099 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 mt -61.19 -27.65 68.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.09 0.472 . . . . 99.99 111.66 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -68.33 -28.64 67.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.815 -0.629 . . . . 99.99 111.824 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.42 -42.42 95.98 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.294 -0.412 . . . . 99.99 111.412 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -92.65 10.03 32.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.051 -0.522 . . . . 99.99 110.887 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 56.5 43.29 26.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.621 -0.718 . . . . 99.99 111.655 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -78.22 119.09 26.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.487 -0.56 . . . . 99.99 109.487 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -106.17 -165.57 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.986 -0.552 . . . . 99.99 111.063 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -73.83 149.3 41.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.36 -0.382 . . . . 99.99 111.328 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.36 17.51 10.16 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.19 0.811 . . . . 99.99 113.19 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -75.85 136.76 40.18 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.812 -0.44 . . . . 99.99 109.812 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.3 m -103.34 106.93 17.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.068 0.461 . . . . 99.99 111.35 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 67.9 mt -84.64 145.98 27.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.795 -0.639 . . . . 99.99 109.381 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -101.6 120.9 41.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.477 -0.564 . . . . 99.99 109.477 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 41.1 tp -102.09 114.36 28.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.18 0.514 . . . . 99.99 112.329 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 44.8 t -102.61 143.77 14.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 48.0 tp -94.49 121.73 36.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.821 0.343 . . . . 99.99 111.35 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -95.24 85.63 4.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.484 . . . . 99.99 109.701 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 28.3 mt -70.29 152.92 43.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.049 -0.523 . . . . 99.99 111.921 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -146.5 114.91 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.77 -0.65 . . . . 99.99 109.786 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.86 22.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.94 -0.648 . . . . 99.99 112.389 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 95.4 m . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.903 -0.57 . . . . 99.99 110.195 179.857 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.596 0.236 . . . . 99.99 111.631 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.22 -33.6 63.22 Favored 'General case' 0 N--CA 1.461 0.078 0 N-CA-C 112.364 0.505 . . . . 99.99 112.364 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.8 ttm -51.37 -54.9 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.705 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -70.95 -37.41 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.479 -0.328 . . . . 99.99 111.028 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -56.58 -48.37 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.793 0.33 . . . . 99.99 110.872 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.4 t -65.31 -41.35 91.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.365 -0.38 . . . . 99.99 110.67 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -44.08 96.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 99.99 111.229 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.47 -48.1 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 99.99 110.413 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.42 -45.53 93.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 99.99 110.664 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.9 -51.0 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.585 -0.734 . . . . 99.99 111.64 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -69.69 -37.75 76.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.506 . . . . 99.99 111.745 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.8 mt -65.47 -29.86 70.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.46 -0.336 . . . . 99.99 111.395 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -75.04 -25.25 58.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.049 0.452 . . . . 99.99 110.549 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -76.74 -45.14 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.999 -0.546 . . . . 99.99 110.278 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -127.73 75.96 77.54 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.88 -0.6 . . . . 99.99 110.387 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -81.45 141.57 12.64 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.505 2.137 . . . . 10.0 112.353 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -64.18 148.82 91.19 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 123.026 2.484 . . . . 10.0 111.381 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.65 -23.04 74.9 Favored 'Trans proline' 0 N--CA 1.47 0.116 0 C-N-CA 122.898 2.399 . . . . 10.0 112.637 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -94.02 6.13 49.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.035 0.383 . . . . 99.99 112.035 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.5 tp -137.67 113.18 9.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 99.99 110.932 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -127.38 168.35 14.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.362 -0.381 . . . . 99.99 110.331 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m120 59.41 36.98 23.33 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.121 -0.491 . . . . 99.99 112.055 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.91 94.99 5.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.168 0.509 . . . . 99.99 110.274 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -124.22 157.73 34.12 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.871 -0.604 . . . . 99.99 111.464 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.47 160.28 25.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 99.99 110.005 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -70.94 145.32 50.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.968 0.413 . . . . 99.99 110.706 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -25.46 67.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.641 -0.709 . . . . 99.99 112.455 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.71 -42.17 4.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.046 0.758 . . . . 99.99 113.046 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -124.3 125.19 43.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.031 0.444 . . . . 99.99 112.16 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.91 -14.27 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 116.11 -0.496 . . . . 99.99 111.245 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.2 mt -82.79 -1.02 50.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.236 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.2 t -115.39 122.46 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.615 -0.513 . . . . 99.99 109.615 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -106.66 146.7 30.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.816 0.341 . . . . 99.99 111.341 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -126.78 118.74 25.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.053 -1.091 . . . . 99.99 108.053 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.56 156.38 45.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.02 0.438 . . . . 99.99 111.909 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.9 mt -105.51 118.16 35.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.731 -0.668 . . . . 99.99 110.057 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 tp -88.43 131.63 34.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.943 -0.571 . . . . 99.99 109.761 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -110.65 93.98 18.23 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.176 -0.466 . . . . 99.99 110.706 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -76.94 142.03 21.82 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.492 2.128 . . . . 10.0 110.025 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.16 -20.41 17.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.047 0.451 . . . . 99.99 111.329 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -65.88 129.18 94.24 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.817 -0.629 . . . . 99.99 111.045 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -67.49 143.33 62.67 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.693 2.262 . . . . 10.0 110.86 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -97.93 14.03 32.27 Favored 'Cis proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.676 -1.385 . . . . 10.0 111.955 -0.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -61.17 -22.08 64.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 99.99 111.773 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -8.49 38.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.212 0.819 . . . . 99.99 113.212 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.0 mt -75.07 -27.51 59.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.582 -0.281 . . . . 99.99 111.282 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -138.28 -167.6 2.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.372 -0.377 . . . . 99.99 110.767 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -131.38 156.23 45.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.989 -0.745 . . . . 99.99 108.989 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -124.71 133.32 53.24 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.85 0.357 . . . . 99.99 111.163 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -88.14 134.12 33.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.112 -0.494 . . . . 99.99 111.055 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 pp -119.9 149.85 41.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.973 -0.558 . . . . 99.99 110.667 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.76 118.49 33.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.797 -0.638 . . . . 99.99 110.488 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.5 mt -102.9 115.21 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.426 -0.583 . . . . 99.99 109.426 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -108.66 112.72 25.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.935 0.397 . . . . 99.99 111.076 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -89.63 130.0 44.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.067 -0.515 . . . . 99.99 111.024 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -80.96 148.48 17.26 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.515 2.143 . . . . 10.0 110.82 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -58.76 -21.12 54.9 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 122.501 2.134 . . . . 10.0 112.7 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.46 12.13 13.0 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.294 -0.254 . . . . 99.99 111.654 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -59.88 139.89 90.23 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.063 -0.347 . . . . 99.99 110.063 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -100.02 28.05 14.68 Favored 'Cis proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.193 -1.17 . . . . 10.0 113.057 0.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -73.71 -24.1 59.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.135 -0.691 . . . . 99.99 109.135 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -118.85 140.88 29.16 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 114.996 -1.002 . . . . 99.99 108.642 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.77 139.15 36.1 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 2.272 . . . . 10.0 113.378 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.86 128.97 12.9 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.597 2.198 . . . . 10.0 110.678 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.9 mtm -80.74 118.28 22.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.923 0.392 . . . . 99.99 111.287 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.5 mt -116.25 121.7 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.919 -0.582 . . . . 99.99 109.826 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -135.74 158.86 43.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.251 -0.432 . . . . 99.99 110.094 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -85.15 139.89 31.35 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.578 -0.283 . . . . 99.99 110.271 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.26 -28.52 14.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.185 0.517 . . . . 99.99 109.839 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.91 156.34 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.769 -0.65 . . . . 99.99 110.37 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -79.41 97.81 6.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.837 0.351 . . . . 99.99 111.634 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.2 tt -108.29 115.25 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.163 0.506 . . . . 99.99 111.195 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 83.6 5.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.233 0.54 . . . . 99.99 110.263 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -123.76 137.63 29.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.659 -0.7 . . . . 99.99 109.804 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.74 -5.69 4.89 Favored 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 123.329 2.686 . . . . 10.0 113.941 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -121.09 18.35 11.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.935 0.398 . . . . 99.99 110.415 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.9 t -133.58 137.48 52.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.822 -0.627 . . . . 99.99 109.465 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.55 167.31 15.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.468 -0.333 . . . . 99.99 111.325 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.1 -29.19 67.18 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 113.232 0.826 . . . . 99.99 113.232 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -20.65 35.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.107 0.479 . . . . 99.99 110.422 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.1 17.39 10.19 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.889 -0.672 . . . . 99.99 112.257 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -88.19 152.3 22.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.597 0.237 . . . . 99.99 110.458 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.3 pt -135.15 -174.6 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 99.99 110.518 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.719 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 1.0 OUTLIER -138.25 101.5 4.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.72 -0.673 . . . . 99.99 109.198 178.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.6 tp -112.65 111.78 51.5 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 121.169 0.509 . . . . 99.99 110.737 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.77 -27.56 53.03 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.33 2.687 . . . . 10.0 113.679 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.4 tt -68.73 -23.69 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.646 0.61 . . . . 99.99 112.646 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 24.2 pt -116.87 12.29 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.928 -0.309 . . . . 99.99 111.474 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.3 p -67.45 145.6 54.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 99.99 110.284 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 p -61.12 -17.68 54.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.295 0.48 . . . . 99.99 112.295 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -97.34 -7.0 32.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.027 0.38 . . . . 99.99 112.027 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -142.66 39.68 1.53 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 122.236 -0.29 . . . . 99.99 111.589 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -97.94 136.69 37.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.201 0.524 . . . . 99.99 112.128 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -136.19 125.42 15.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.5 -0.773 . . . . 99.99 109.575 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.57 -14.85 27.8 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.644 2.896 . . . . 10.0 114.221 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.16 -11.82 59.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.781 0.324 . . . . 99.99 111.398 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.5 m -82.1 134.79 35.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.318 -0.401 . . . . 99.99 110.812 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -103.34 167.62 9.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.899 -0.591 . . . . 99.99 110.37 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.8 m -59.87 -35.78 75.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 99.99 111.937 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -34.89 75.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.371 . . . . 99.99 111.556 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -75.87 -32.57 59.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.094 0.473 . . . . 99.99 110.361 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.39 -47.33 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 99.99 110.136 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.76 -29.96 71.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 99.99 110.451 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -64.32 -50.25 68.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.584 -0.734 . . . . 99.99 109.655 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.3 75.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 99.99 110.666 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.3 tp -62.91 -47.98 80.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 99.99 110.333 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -56.83 -35.51 68.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.136 -0.483 . . . . 99.99 110.898 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.5 t -62.67 -51.95 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.882 -0.599 . . . . 99.99 110.831 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.3 mt -67.61 -27.4 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.358 0.503 . . . . 99.99 112.358 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.26 -50.88 43.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.73 0.3 . . . . 99.99 110.419 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -77.06 -34.17 57.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.661 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -114.56 98.46 49.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.846 -0.428 . . . . 99.99 109.846 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.72 155.21 70.32 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.604 2.202 . . . . 10.0 112.472 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -100.34 119.3 38.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.917 -0.583 . . . . 99.99 109.755 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.8 pt -97.47 4.12 9.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.29 0.478 . . . . 99.99 112.29 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -107.22 -55.29 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.093 0.473 . . . . 99.99 109.805 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.25 74.84 15.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 99.99 110.157 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -96.37 179.01 0.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.071 2.514 . . . . 10.0 112.034 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.8 mp -106.26 -24.37 12.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.017 -0.538 . . . . 99.99 109.918 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -124.12 106.19 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.763 -0.653 . . . . 99.99 110.887 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 98.2 mtp -69.23 -28.87 66.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.518 . . . . 99.99 110.734 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -65.04 -50.66 65.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.918 -0.583 . . . . 99.99 111.343 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 mp -71.26 -35.72 71.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.161 -0.472 . . . . 99.99 111.765 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.83 -48.27 79.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.916 0.389 . . . . 99.99 110.475 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.02 -38.78 89.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 99.99 110.291 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 53.9 tp -58.08 -48.04 81.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.649 -0.705 . . . . 99.99 110.947 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.4 tp -65.86 -38.08 87.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 99.99 111.385 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.4 m -68.52 -32.25 72.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.158 -0.473 . . . . 99.99 111.686 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -88.03 -52.92 5.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.862 0.319 . . . . 99.99 111.862 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -136.29 98.06 11.57 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.743 0.306 . . . . 99.99 110.832 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.94 -35.7 65.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.84 2.36 . . . . 10.0 111.824 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -67.26 -43.66 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.388 -0.369 . . . . 99.99 111.152 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.6 tp -63.51 -41.49 98.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.604 -0.517 . . . . 99.99 109.604 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -65.82 -43.42 88.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 99.99 109.695 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -61.28 -47.25 86.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.623 -0.717 . . . . 99.99 110.553 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -43.35 96.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.4 . . . . 99.99 110.97 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -60.82 -47.45 86.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.848 -0.614 . . . . 99.99 110.737 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.05 66.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.898 -0.592 . . . . 99.99 111.233 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.52 -48.46 80.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.508 -0.314 . . . . 99.99 110.954 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -60.92 -45.94 92.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.346 -0.388 . . . . 99.99 110.075 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -59.45 -45.19 92.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 99.99 111.388 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 16.2 m -61.82 -40.29 94.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.117 0.484 . . . . 99.99 110.841 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.51 14.01 12.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.359 -0.382 . . . . 99.99 111.68 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -122.23 -50.8 2.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.979 0.418 . . . . 99.99 110.673 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -119.3 35.82 4.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.059 -0.518 . . . . 99.99 109.981 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -122.82 140.75 13.44 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.699 -0.763 . . . . 99.99 112.651 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.5 141.79 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.989 -0.374 . . . . 99.99 109.989 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -56.74 139.71 49.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.379 -0.373 . . . . 99.99 111.647 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -68.46 118.3 58.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 99.99 110.397 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo . . . . . 0 C--O 1.251 1.171 0 C-N-CA 123.003 2.469 . . . . 10.0 111.764 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.836 0.351 . . . . 99.99 110.672 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -97.76 130.68 44.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.077 0.465 . . . . 99.99 111.75 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -121.46 164.15 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -116.89 127.64 54.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.865 0.364 . . . . 99.99 111.158 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.98 115.44 49.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.916 -0.772 . . . . 99.99 108.916 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -107.26 133.03 52.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.771 0.319 . . . . 99.99 111.032 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 20.5 p -89.62 -171.83 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.987 -0.551 . . . . 99.99 110.245 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 78.8 mt -81.07 -17.69 49.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.125 0.417 . . . . 99.99 112.125 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 16.6 p -94.73 1.94 55.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 99.99 111.814 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.5 -15.79 61.56 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.609 -0.805 . . . . 99.99 112.759 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.446 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 60.3 tttm -60.5 113.12 2.26 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.81 -0.441 . . . . 99.99 109.81 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -110.42 121.24 44.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.055 -0.52 . . . . 99.99 110.839 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.2 pt -110.49 148.62 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.167 -0.47 . . . . 99.99 111.052 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.37 148.72 22.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.159 -0.473 . . . . 99.99 109.879 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.7 tp -144.1 127.75 17.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.957 0.408 . . . . 99.99 111.159 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -96.49 108.6 21.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.807 -0.633 . . . . 99.99 109.49 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -135.92 -175.99 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 99.99 110.704 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.35 157.11 78.2 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.235 -1.024 . . . . 99.99 108.235 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.6 -35.37 67.16 Favored 'Trans proline' 0 N--CA 1.474 0.339 0 C-N-CA 122.571 2.181 . . . . 10.0 113.161 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -75.1 -0.16 18.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.799 0.666 . . . . 99.99 112.799 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.72 129.05 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.944 0.402 . . . . 99.99 111.416 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.66 145.51 36.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.059 -0.719 . . . . 99.99 109.059 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 mm -54.83 -38.08 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 99.99 111.793 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -34.76 75.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.869 0.366 . . . . 99.99 110.832 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.81 -36.92 70.41 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.152 -0.684 . . . . 99.99 109.152 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.57 -43.08 96.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.462 -0.79 . . . . 99.99 109.293 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.428 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 92.4 mttt -59.7 -40.2 87.13 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.935 -0.575 . . . . 99.99 110.608 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.86 92.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 99.99 110.143 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.48 -35.6 80.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 99.99 110.786 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.48 -41.06 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.538 -0.541 . . . . 99.99 109.538 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.44 -30.11 68.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 99.99 110.339 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.59 -40.81 84.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.923 -0.58 . . . . 99.99 111.46 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -93.69 -45.66 7.6 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.337 0.866 . . . . 99.99 113.337 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.446 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 28.5 mm-40 -85.01 -63.76 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 99.99 111.378 -179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.64 -13.73 6.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.666 -0.778 . . . . 99.99 112.354 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 mt -59.75 121.35 57.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 122.306 0.242 . . . . 99.99 110.823 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -59.37 139.58 90.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.906 2.404 . . . . 10.0 111.585 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -54.62 -28.99 58.65 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.366 2.711 . . . . 10.0 112.986 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.83 -26.6 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.082 0.468 . . . . 99.99 110.73 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -101.68 9.59 40.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.008 -0.542 . . . . 99.99 111.074 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -99.89 109.83 22.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.302 -0.408 . . . . 99.99 111.17 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -111.29 92.08 3.9 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.779 -0.452 . . . . 99.99 109.779 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 mt -81.3 121.62 26.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.843 -0.617 . . . . 99.99 112.051 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.3 mm -116.38 125.05 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.674 -0.693 . . . . 99.99 110.16 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -139.74 131.95 28.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.266 -0.425 . . . . 99.99 109.953 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.59 31.6 21.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.052 -0.522 . . . . 99.99 111.516 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.51 7.19 85.29 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.801 -0.636 . . . . 99.99 113.246 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -121.84 153.55 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 99.99 111.179 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -87.41 128.13 35.21 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.296 -0.631 . . . . 99.99 109.296 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt -75.41 115.94 15.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.389 -0.369 . . . . 99.99 111.196 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.83 132.38 41.49 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.133 -0.485 . . . . 99.99 111.246 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.428 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 3.6 m-20 -52.62 -40.48 62.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.765 -0.652 . . . . 99.99 112.618 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.79 -4.21 85.03 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.892 -0.67 . . . . 99.99 114.648 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.87 167.35 10.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.51 0.655 . . . . 99.99 111.475 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -106.83 172.63 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.173 -0.467 . . . . 99.99 111.011 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.29 -39.9 86.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.292 -0.413 . . . . 99.99 111.217 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -24.93 67.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.75 0.309 . . . . 99.99 111.572 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -63.65 -30.69 71.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.228 -0.442 . . . . 99.99 111.2 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -109.23 11.78 25.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 99.99 110.761 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 61.91 39.87 13.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.536 0.684 . . . . 99.99 110.927 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.2 mt -87.35 104.33 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.825 -0.625 . . . . 99.99 109.814 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -105.0 -171.23 1.88 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.882 -0.599 . . . . 99.99 109.953 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -70.48 161.09 31.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.491 0.186 . . . . 99.99 110.99 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 70.65 5.74 5.54 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.691 0.626 . . . . 99.99 112.691 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -84.6 149.66 25.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.722 0.296 . . . . 99.99 110.617 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.6 m -114.39 122.16 45.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.992 0.425 . . . . 99.99 110.827 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 46.2 mt -99.24 145.38 27.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.04 -0.527 . . . . 99.99 109.931 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -99.1 119.45 37.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 99.99 109.795 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.4 tp -100.82 105.37 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.198 0.523 . . . . 99.99 111.597 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.8 t -91.84 127.18 44.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.662 -0.699 . . . . 99.99 109.434 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 54.5 tp -75.64 109.52 9.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 99.99 110.835 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -90.17 87.5 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.034 0.445 . . . . 99.99 110.773 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 79.6 mt -74.39 97.2 3.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.154 -0.476 . . . . 99.99 110.359 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -83.94 80.43 9.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.815 -0.63 . . . . 99.99 111.313 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.695 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . 131.99 131.26 3.21 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.966 -0.635 . . . . 99.99 111.875 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.719 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 37.0 m . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.051 -0.976 . . . . 99.99 110.168 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.563 0.209 . . . . 99.99 111.563 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -58.8 -38.11 77.83 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.695 0.628 . . . . 99.99 112.695 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -47.52 72.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.454 -0.339 . . . . 99.99 111.362 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -69.97 -39.34 76.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.581 -0.281 . . . . 99.99 111.039 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 83.9 t -56.88 -47.66 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.993 0.425 . . . . 99.99 110.57 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.35 -42.14 92.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.078 -0.51 . . . . 99.99 110.55 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -42.98 94.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 99.99 110.727 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.33 -37.72 88.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.344 -0.389 . . . . 99.99 110.461 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.73 -48.75 79.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.512 -0.551 . . . . 99.99 109.512 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' CD ' ' HZ1' ' A' ' 15' ' ' LYS . 1.4 tm-20 -64.08 -32.48 74.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 99.99 110.523 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.37 -47.66 78.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.934 -0.575 . . . . 99.99 110.489 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.4 mt -76.73 -33.97 58.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.561 -0.745 . . . . 99.99 112.595 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -69.62 -22.96 63.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.93 0.344 . . . . 99.99 111.93 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HZ1' ' CD ' ' A' ' 11' ' ' GLU . 5.3 mmtp -75.97 -31.56 59.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.503 -0.317 . . . . 99.99 110.808 179.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -154.47 83.69 4.03 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.155 -0.475 . . . . 99.99 110.164 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -77.54 147.31 25.1 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.124 2.549 . . . . 10.0 112.538 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -62.25 147.89 94.19 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.756 2.304 . . . . 10.0 111.019 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.28 -25.27 64.16 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 123.042 2.495 . . . . 10.0 113.247 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -95.91 6.07 49.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.076 0.399 . . . . 99.99 112.076 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.4 tp -133.49 117.75 17.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.743 0.306 . . . . 99.99 110.938 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.422 HH22 ' C ' ' A' ' 151' ' ' PRO . 24.9 mtm180 -132.16 166.32 22.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.486 -0.325 . . . . 99.99 110.879 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 61.33 40.36 14.37 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.549 0.53 . . . . 99.99 111.57 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.0 tp -86.55 107.82 18.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.085 0.469 . . . . 99.99 110.81 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -146.4 157.52 43.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 99.99 110.42 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -79.6 162.07 25.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.951 -0.388 . . . . 99.99 109.951 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.0 150.54 48.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.095 0.474 . . . . 99.99 110.834 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.1 -27.23 68.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.584 -0.734 . . . . 99.99 111.991 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.97 -1.27 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.125 0.787 . . . . 99.99 113.125 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -146.09 124.43 12.31 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.653 -0.419 . . . . 99.99 111.897 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.9 -16.27 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.063 0.458 . . . . 99.99 110.694 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.6 mt -86.76 1.71 51.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 99.99 111.168 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.0 t -123.24 109.92 24.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.704 -0.48 . . . . 99.99 109.704 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -98.82 147.66 24.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.024 0.44 . . . . 99.99 111.073 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -127.89 128.96 46.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.238 -1.023 . . . . 99.99 108.238 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.07 164.22 37.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 99.99 111.487 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.2 mt -109.16 117.78 35.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 99.99 110.723 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.3 tp -86.2 134.44 33.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.406 -0.59 . . . . 99.99 109.406 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.6 86.92 30.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.417 -0.356 . . . . 99.99 111.255 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.3 137.19 30.56 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.507 2.138 . . . . 10.0 110.253 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.28 -19.35 24.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.963 0.411 . . . . 99.99 111.693 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -71.62 134.82 83.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.284 -0.417 . . . . 99.99 111.366 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -69.12 145.9 62.4 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.526 2.151 . . . . 10.0 110.904 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -96.39 13.17 39.08 Favored 'Cis proline' 0 N--CA 1.459 -0.557 0 C-N-CA 123.623 -1.407 . . . . 10.0 111.915 -0.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -65.14 -13.91 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 99.99 111.885 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -3.93 35.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 99.99 111.781 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -79.07 -35.29 42.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.968 0.358 . . . . 99.99 111.968 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -134.87 -167.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.522 -0.308 . . . . 99.99 110.868 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.55 160.18 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 99.99 109.223 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.51 127.71 46.87 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.028 -0.269 . . . . 99.99 111.115 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -80.75 130.32 35.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.373 -0.376 . . . . 99.99 110.2 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp -120.13 154.82 34.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.237 -0.438 . . . . 99.99 110.736 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 121.51 35.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 99.99 110.428 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.9 mt -101.65 114.32 40.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.943 -0.571 . . . . 99.99 109.658 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.37 114.23 28.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.814 0.34 . . . . 99.99 110.923 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -92.01 125.78 55.64 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.273 -0.422 . . . . 99.99 110.89 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -74.89 151.6 40.29 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.78 2.32 . . . . 10.0 111.1 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.24 -17.83 59.09 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.647 2.231 . . . . 10.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.1 6.59 45.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 99.99 111.455 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -54.91 139.82 61.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 110.306 -0.257 . . . . 99.99 110.306 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -94.92 23.91 25.65 Favored 'Cis proline' 0 C--N 1.348 0.531 0 C-N-CA 124.076 -1.218 . . . . 10.0 113.666 0.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -76.28 -15.73 59.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.583 0.706 . . . . 99.99 109.705 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.82 132.09 24.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.083 -0.962 . . . . 99.99 108.985 178.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.83 139.38 74.14 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.972 2.448 . . . . 10.0 112.855 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.45 125.96 14.78 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.858 2.372 . . . . 10.0 111.171 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.3 mtm -83.87 91.73 7.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 99.99 110.837 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.4 mt -97.98 127.24 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.722 -0.672 . . . . 99.99 110.121 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -140.42 160.31 40.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.933 -0.395 . . . . 99.99 109.933 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -84.47 137.09 33.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.431 -0.349 . . . . 99.99 110.775 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -35.57 16.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.098 -0.704 . . . . 99.99 109.098 178.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.26 165.69 13.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.494 -0.775 . . . . 99.99 109.57 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -90.43 112.19 23.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.011 0.434 . . . . 99.99 111.691 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.0 tt -113.3 116.6 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.118 -0.492 . . . . 99.99 110.831 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -77.53 87.84 3.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 99.99 110.458 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -132.23 134.95 25.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.02 -0.537 . . . . 99.99 109.916 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.42 -12.59 14.09 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.326 2.684 . . . . 10.0 114.127 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -114.34 19.96 15.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.865 0.364 . . . . 99.99 110.785 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -137.15 141.48 40.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.833 -0.802 . . . . 99.99 108.833 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.61 171.34 8.73 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.271 -0.172 . . . . 99.99 110.547 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.17 -29.43 67.44 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.727 0.64 . . . . 99.99 112.727 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -76.89 -42.18 40.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 99.99 109.866 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.82 22.6 1.58 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.902 -0.666 . . . . 99.99 112.508 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -80.36 151.02 29.65 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.711 0.291 . . . . 99.99 110.671 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.53 129.39 21.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 99.99 110.866 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 1.023 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 33.4 m -84.0 74.69 10.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 99.99 110.826 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.5 mt -89.49 117.18 67.94 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.726 -0.67 . . . . 99.99 110.219 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -58.59 -29.35 88.82 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 122.603 2.202 . . . . 10.0 112.05 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.3 tt -67.55 -26.57 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.517 0.562 . . . . 99.99 112.517 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 46.3 pt -104.56 1.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 122.155 -0.341 . . . . 99.99 111.617 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.5 p -72.28 140.48 48.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.659 -0.497 . . . . 99.99 109.659 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -20.41 38.13 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.429 0.529 . . . . 99.99 112.429 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -87.69 -7.9 56.8 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.377 0.51 . . . . 99.99 112.377 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -138.81 12.09 2.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.923 0.342 . . . . 99.99 111.923 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -81.38 128.34 33.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.256 0.55 . . . . 99.99 111.972 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -124.95 123.17 25.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.307 -0.861 . . . . 99.99 108.814 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -58.66 -17.52 35.84 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.227 2.618 . . . . 10.0 113.368 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -13.91 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.357 . . . . 99.99 111.678 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.24 137.65 35.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.458 -0.337 . . . . 99.99 110.794 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -98.76 162.9 12.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.37 . . . . 99.99 110.5 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.6 m -58.22 -34.07 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 99.99 112.138 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -31.59 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 99.99 111.604 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -79.26 -30.61 43.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.064 0.459 . . . . 99.99 110.313 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 51.0 t -70.08 -46.66 71.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.815 -0.63 . . . . 99.99 110.396 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.13 -28.59 69.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.943 -0.571 . . . . 99.99 110.693 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -68.41 -44.63 74.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.949 -0.569 . . . . 99.99 109.952 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.24 83.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.77 -0.65 . . . . 99.99 110.304 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.9 tp -62.14 -44.43 96.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.791 -0.641 . . . . 99.99 110.731 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -56.97 -37.32 71.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.053 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.4 t -65.33 -45.04 94.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 99.99 110.506 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.31 -35.48 81.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 99.99 111.298 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.11 -47.2 62.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.49 -0.323 . . . . 99.99 111.199 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -72.68 -35.85 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 99.99 111.817 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -119.68 98.75 49.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.759 0.314 . . . . 99.99 110.186 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -66.73 118.89 5.9 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.677 2.252 . . . . 10.0 111.944 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -70.1 103.75 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.987 -0.552 . . . . 99.99 109.834 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 20.5 pt -81.15 -3.74 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 99.99 112.009 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -79.68 -59.43 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.226 -0.657 . . . . 99.99 109.226 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -121.72 85.22 44.14 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.495 -0.775 . . . . 99.99 109.716 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -90.54 173.81 3.06 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.844 2.362 . . . . 10.0 111.45 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.4 mp -98.7 -24.28 15.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.076 0.465 . . . . 99.99 110.142 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -132.95 106.82 7.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.777 -0.647 . . . . 99.99 110.151 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -62.43 -30.8 71.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.974 -0.557 . . . . 99.99 111.583 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -68.92 -34.93 76.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 99.99 111.421 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.21 -40.9 23.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.522 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.48 93.7 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.967 -0.56 . . . . 99.99 110.622 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.69 -56.1 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 99.99 110.186 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 44.2 tp -55.95 -40.27 72.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 99.99 111.61 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 35.5 tp -62.06 -34.89 77.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 99.99 111.651 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 -31.07 18.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.881 0.372 . . . . 99.99 111.423 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -72.37 -53.12 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.03 0.443 . . . . 99.99 110.526 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -144.05 92.97 6.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.641 . . . . 99.99 110.145 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.79 -32.74 97.7 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 123.011 2.474 . . . . 10.0 112.187 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -68.35 -46.94 68.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.424 -0.353 . . . . 99.99 111.16 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.9 tp -61.08 -42.72 99.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.943 0.402 . . . . 99.99 110.207 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -66.87 -41.48 87.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.779 -0.646 . . . . 99.99 109.951 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 48.7 ttp85 -57.75 -38.65 75.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.799 -0.637 . . . . 99.99 111.075 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -62.12 -50.42 71.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.857 0.36 . . . . 99.99 111.178 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.91 -41.38 95.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 99.99 110.818 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.81 -34.51 76.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.092 -0.504 . . . . 99.99 111.144 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -63.6 -49.89 71.57 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.373 -0.376 . . . . 99.99 110.197 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.67 -41.77 95.74 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.922 -0.581 . . . . 99.99 109.808 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -42.22 91.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 99.99 110.877 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.3 m -64.68 -37.45 87.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.182 0.515 . . . . 99.99 110.113 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 81.3 mt -93.2 25.68 3.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.56 . . . . 99.99 110.459 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -136.68 -39.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 99.99 110.931 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -128.76 34.96 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 99.99 110.554 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -119.0 150.38 17.96 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.603 -0.808 . . . . 99.99 112.157 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 25.8 t -81.11 143.78 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.443 -0.577 . . . . 99.99 109.443 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -56.67 128.69 37.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.908 0.385 . . . . 99.99 111.516 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -94.08 110.73 49.84 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.606 -0.725 . . . . 99.99 111.04 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . 0.422 ' C ' HH22 ' A' ' 22' ' ' ARG . 93.7 Cg_endo . . . . . 0 C--O 1.247 0.932 0 C-N-CA 123.187 2.591 . . . . 10.0 111.111 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.799 0.333 . . . . 99.99 110.532 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -98.88 130.29 45.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.852 0.358 . . . . 99.99 111.904 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -121.88 166.93 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.897 -0.592 . . . . 99.99 109.641 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -119.34 122.76 42.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.631 -0.258 . . . . 99.99 110.986 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.3 t -109.48 117.76 55.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.302 -0.629 . . . . 99.99 109.302 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -109.9 126.96 54.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.185 0.517 . . . . 99.99 111.417 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.8 p -92.73 166.9 12.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.515 -0.766 . . . . 99.99 110.111 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.5 mt -76.08 5.67 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 99.99 111.364 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.84 8.4 34.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 99.99 110.779 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.27 20.01 79.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.939 -0.648 . . . . 99.99 112.256 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -105.01 118.21 35.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.83 -0.433 . . . . 99.99 109.83 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.97 126.01 51.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.98 -0.555 . . . . 99.99 110.302 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.6 pt -121.39 140.19 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.295 -0.411 . . . . 99.99 110.975 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.76 143.11 26.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.945 -0.571 . . . . 99.99 109.959 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.55 145.27 49.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.842 0.354 . . . . 99.99 111.275 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -104.47 98.49 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 99.99 110.119 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -128.51 169.34 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 99.99 110.36 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -116.97 157.17 47.16 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 109.649 -0.5 . . . . 99.99 109.649 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -58.44 -20.83 50.73 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.696 2.264 . . . . 10.0 113.007 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.87 10.68 38.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.395 -0.366 . . . . 99.99 111.883 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -82.09 151.3 27.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.711 0.291 . . . . 99.99 111.107 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.79 148.58 21.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.104 -0.498 . . . . 99.99 110.484 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.7 mm -59.73 -38.82 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.579 -0.282 . . . . 99.99 111.494 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.58 -34.03 73.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.332 0.587 . . . . 99.99 110.321 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -75.26 -38.79 60.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.794 -0.639 . . . . 99.99 110.049 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.3 t -60.92 -43.02 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.965 -0.561 . . . . 99.99 109.775 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.502 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 91.2 mttt -58.53 -42.13 87.1 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.899 -0.591 . . . . 99.99 110.484 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.27 90.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.665 -0.698 . . . . 99.99 110.146 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.29 -31.04 71.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.901 -0.59 . . . . 99.99 110.746 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.5 mt -72.14 -44.23 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.944 -0.762 . . . . 99.99 108.944 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -64.23 -31.44 72.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.837 -0.62 . . . . 99.99 110.062 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.13 -37.17 76.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.663 -0.699 . . . . 99.99 111.909 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -104.74 -34.19 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.547 0.943 . . . . 99.99 113.547 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -91.55 -33.52 15.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.302 0.853 . . . . 99.99 113.302 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.06 1.22 70.21 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.571 -0.823 . . . . 99.99 112.721 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -84.14 119.84 73.84 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 122.769 -0.254 . . . . 99.99 110.609 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -58.01 135.92 71.74 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.108 2.538 . . . . 10.0 112.565 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -54.95 -29.76 65.88 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.655 2.904 . . . . 10.0 113.495 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.7 -22.8 65.25 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.235 0.541 . . . . 99.99 110.855 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -102.29 7.85 40.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.897 -0.592 . . . . 99.99 110.244 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -100.66 109.33 21.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.015 -0.539 . . . . 99.99 111.806 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -106.09 90.98 3.53 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.297 -0.631 . . . . 99.99 109.297 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 29.2 mt -79.71 121.73 25.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.775 -0.648 . . . . 99.99 111.605 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.1 130.9 70.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.801 -0.636 . . . . 99.99 110.509 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -143.18 127.45 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.65 -0.5 . . . . 99.99 109.65 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 29.2 18.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.071 0.462 . . . . 99.99 111.372 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.21 -0.07 84.9 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.731 -0.668 . . . . 99.99 112.953 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -112.12 158.25 19.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.902 0.351 . . . . 99.99 110.72 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -90.72 134.76 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.574 -0.528 . . . . 99.99 109.574 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 69.1 mt -80.49 116.61 20.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.838 0.351 . . . . 99.99 111.55 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -77.44 129.63 35.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.06 -0.518 . . . . 99.99 110.264 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.502 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 5.1 m-20 -49.86 -45.27 50.26 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.442 0.904 . . . . 99.99 113.442 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.27 -9.77 81.27 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 121.016 -0.612 . . . . 99.99 113.765 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -86.88 162.9 17.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.034 0.445 . . . . 99.99 111.269 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 9.1 p -108.9 166.61 10.69 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.769 -0.651 . . . . 99.99 110.5 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.54 -27.3 69.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 99.99 111.169 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -14.7 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 99.99 111.531 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -73.04 -38.56 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.123 0.487 . . . . 99.99 110.556 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -98.48 2.9 48.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.704 -0.68 . . . . 99.99 110.703 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.24 44.59 7.49 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.748 0.655 . . . . 99.99 110.807 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 52.8 mt -85.24 112.87 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 99.99 110.576 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -94.79 -172.96 2.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.997 -0.547 . . . . 99.99 109.859 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -76.67 161.79 28.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.171 -0.307 . . . . 99.99 110.171 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 72.85 -7.41 1.47 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.733 0.642 . . . . 99.99 112.733 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.2 m -65.26 140.0 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.841 0.353 . . . . 99.99 111.176 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.2 m -103.88 120.08 40.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.023 -0.535 . . . . 99.99 110.415 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 33.0 mt -99.67 150.52 22.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.901 -0.591 . . . . 99.99 110.261 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.58 122.18 43.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.815 -0.439 . . . . 99.99 109.815 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.2 tp -106.93 112.49 25.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.051 0.453 . . . . 99.99 111.998 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 26.1 t -97.28 134.64 34.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.689 -0.687 . . . . 99.99 109.152 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 tp -88.22 115.1 25.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.816 0.341 . . . . 99.99 111.065 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -91.5 123.87 35.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.269 -0.423 . . . . 99.99 109.919 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.88 159.07 16.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.721 0.296 . . . . 99.99 111.069 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -147.94 75.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 99.99 109.597 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.15 30.35 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.96 -0.638 . . . . 99.99 112.286 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 1.023 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 3.2 m . . . . . 0 C--O 1.246 0.914 0 N-CA-C 109.324 -0.621 . . . . 99.99 109.324 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.737 0.303 . . . . 99.99 111.27 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -34.97 71.57 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.421 0.526 . . . . 99.99 112.421 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.9 ttm -55.51 -45.4 77.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.394 -0.367 . . . . 99.99 111.594 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -71.02 -38.54 72.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.587 -0.279 . . . . 99.99 111.019 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.9 -44.66 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 99.99 110.779 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.08 -39.6 84.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 99.99 110.08 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -64.79 -46.81 80.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 99.99 110.631 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.32 -37.98 89.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 99.99 110.437 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.6 tp -66.01 -42.35 89.83 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.409 -0.589 . . . . 99.99 109.409 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -48.18 82.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.736 -0.665 . . . . 99.99 110.801 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.39 -51.33 70.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.72 -0.673 . . . . 99.99 111.013 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.4 mt -68.12 -24.63 65.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.919 -0.582 . . . . 99.99 112.318 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -76.71 -28.87 56.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 99.99 110.158 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -82.67 -34.39 27.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.886 -0.597 . . . . 99.99 110.014 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -129.21 75.66 79.93 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.82 -0.627 . . . . 99.99 110.002 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.16 130.15 10.95 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.546 2.164 . . . . 10.0 112.278 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.07 147.52 73.62 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.294 1.996 . . . . 10.0 111.23 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.97 -22.75 70.31 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 123.006 2.471 . . . . 10.0 113.393 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -92.59 6.89 45.62 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.353 0.501 . . . . 99.99 112.353 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.5 tp -134.43 122.27 22.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.817 0.342 . . . . 99.99 110.56 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -124.81 161.67 25.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.266 -0.424 . . . . 99.99 110.895 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 53.48 45.75 27.62 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.778 0.674 . . . . 99.99 111.932 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -79.95 100.1 7.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 99.99 110.495 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -136.78 172.06 13.57 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.9 -0.591 . . . . 99.99 109.973 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.13 173.02 10.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.756 -0.461 . . . . 99.99 109.756 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -71.8 158.26 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.146 -0.316 . . . . 99.99 110.146 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -60.59 -38.71 85.55 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.51 0.559 . . . . 99.99 112.51 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.97 20.36 3.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.592 0.59 . . . . 99.99 112.592 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -142.11 130.04 21.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.934 0.397 . . . . 99.99 111.239 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.22 -14.68 9.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.251 0.548 . . . . 99.99 110.324 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.24 21.34 10.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.104 -0.498 . . . . 99.99 111.122 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.8 t -137.78 129.0 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.935 -0.394 . . . . 99.99 109.935 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -105.13 150.51 24.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.046 0.45 . . . . 99.99 111.438 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -124.11 124.62 42.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.957 -1.127 . . . . 99.99 107.957 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.33 152.52 29.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.371 0.508 . . . . 99.99 112.371 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.6 mt -106.97 114.6 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.454 -0.794 . . . . 99.99 109.121 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 tp -82.37 131.15 35.23 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.051 -0.352 . . . . 99.99 110.051 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mp -115.06 90.36 23.14 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.175 -0.466 . . . . 99.99 110.882 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.1 157.54 57.36 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.484 2.123 . . . . 10.0 110.481 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -107.0 -24.84 11.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.11 0.481 . . . . 99.99 110.665 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -62.14 128.74 91.37 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.697 -0.683 . . . . 99.99 111.559 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.54 141.59 42.45 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.053 2.502 . . . . 10.0 111.109 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -99.18 17.69 26.14 Favored 'Cis proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.839 -1.317 . . . . 10.0 112.322 -0.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -60.94 -29.29 69.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 99.99 111.496 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -0.29 6.85 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.083 0.772 . . . . 99.99 113.083 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.51 -13.46 54.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.752 0.31 . . . . 99.99 110.746 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -144.92 -168.39 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 99.99 110.764 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -132.18 151.77 51.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.983 -0.553 . . . . 99.99 109.667 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -124.73 120.27 31.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.79 0.328 . . . . 99.99 111.257 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -80.67 135.28 36.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.288 -0.414 . . . . 99.99 110.423 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -123.57 150.38 44.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 99.99 110.407 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -119.41 115.36 23.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.145 -0.48 . . . . 99.99 110.085 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.5 mt -95.7 120.03 44.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.879 -0.601 . . . . 99.99 110.24 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -105.41 114.88 29.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.243 -0.435 . . . . 99.99 110.253 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -89.77 127.9 52.4 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.169 -0.469 . . . . 99.99 110.898 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.24 150.67 59.61 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.375 2.05 . . . . 10.0 110.99 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.55 -16.43 53.78 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.572 2.181 . . . . 10.0 111.749 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -97.58 17.31 18.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.24 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -63.34 141.67 97.82 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 109.861 -0.422 . . . . 99.99 109.861 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -98.01 24.3 21.69 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 124.261 -1.141 . . . . 10.0 113.061 0.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -77.08 -9.6 58.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 99.99 109.379 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.8 141.46 41.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 114.761 -1.109 . . . . 99.99 109.024 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.62 141.74 42.45 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.746 2.297 . . . . 10.0 113.086 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.78 137.52 16.07 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.557 2.171 . . . . 10.0 111.185 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 71.7 mtm -93.58 117.72 30.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 99.99 110.874 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.4 mt -111.9 125.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.354 -0.384 . . . . 99.99 110.231 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? -131.36 152.98 50.11 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.031 -0.359 . . . . 99.99 110.031 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -85.14 133.22 34.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.49 -0.323 . . . . 99.99 110.51 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.13 -13.41 28.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.709 0.766 . . . . 99.99 109.342 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 m -106.69 140.71 39.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.133 -0.94 . . . . 99.99 109.93 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -70.07 106.46 3.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.451 -0.34 . . . . 99.99 110.561 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.1 tt -111.79 128.67 68.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.124 -0.489 . . . . 99.99 111.064 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -86.99 77.99 9.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.946 -0.57 . . . . 99.99 109.971 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -123.53 134.23 25.11 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 99.99 110.219 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -61.43 -15.83 43.47 Favored 'Trans proline' 0 N--CA 1.479 0.647 0 C-N-CA 123.307 2.671 . . . . 10.0 113.68 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -111.96 24.93 12.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.809 0.338 . . . . 99.99 110.864 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.8 t -136.25 138.66 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.711 -0.478 . . . . 99.99 109.711 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -79.66 158.14 27.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.106 -0.497 . . . . 99.99 110.045 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.39 -31.65 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.72 0.637 . . . . 99.99 112.72 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -80.78 -4.99 56.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.88 0.326 . . . . 99.99 111.88 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.86 13.57 49.58 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.527 -0.844 . . . . 99.99 111.965 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -83.47 142.41 30.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.761 -0.459 . . . . 99.99 109.761 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.3 pt -119.61 -178.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.309 -0.405 . . . . 99.99 110.895 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.977 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 1.3 m -137.51 92.81 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.692 -0.685 . . . . 99.99 109.383 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mp -106.15 113.41 63.52 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.126 -0.488 . . . . 99.99 111.139 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.71 -28.54 76.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.901 2.401 . . . . 10.0 112.196 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.3 tt -66.04 -26.27 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.168 0.433 . . . . 99.99 112.168 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 38.5 pt -111.74 19.64 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 99.99 111.263 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.2 p -77.68 149.41 34.66 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.547 -0.538 . . . . 99.99 109.547 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -6.71 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.507 0.558 . . . . 99.99 112.507 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -111.32 -7.8 14.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.845 0.313 . . . . 99.99 111.845 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -136.04 20.76 3.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.447 0.536 . . . . 99.99 112.447 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -83.28 136.28 34.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.977 0.418 . . . . 99.99 111.61 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -123.4 123.28 26.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.746 -0.835 . . . . 99.99 108.746 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.53 -16.87 50.64 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.913 2.409 . . . . 10.0 113.125 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 p -84.32 -8.85 58.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.464 -0.334 . . . . 99.99 111.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -73.9 136.61 43.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.102 0.477 . . . . 99.99 111.592 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -99.22 151.73 20.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.637 -0.875 . . . . 99.99 108.637 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 m -58.05 -26.42 62.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.814 0.34 . . . . 99.99 111.763 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.06 -29.25 70.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 99.99 111.089 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -79.99 -36.63 35.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.99 0.424 . . . . 99.99 109.923 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 22.7 t -63.98 -45.29 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.695 -0.684 . . . . 99.99 110.167 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.92 -36.5 81.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.776 -0.647 . . . . 99.99 110.76 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.64 -49.06 70.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.952 -0.567 . . . . 99.99 110.257 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.84 -37.64 76.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 99.99 110.226 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.45 -49.37 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.735 -0.666 . . . . 99.99 110.746 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -56.76 -43.13 80.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.323 -0.399 . . . . 99.99 111.032 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.11 -44.09 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 99.99 110.751 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.38 -26.19 64.53 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.054 0.39 . . . . 99.99 112.054 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.7 t -75.64 -45.27 39.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.837 0.351 . . . . 99.99 110.169 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -75.12 -33.84 61.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 99.99 111.331 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -116.7 98.06 51.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.551 -0.537 . . . . 99.99 109.551 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.09 119.18 6.19 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.742 2.295 . . . . 10.0 112.485 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -75.34 110.69 9.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.931 -0.577 . . . . 99.99 109.968 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.7 pt -83.07 -7.28 10.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 99.99 112.412 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -86.69 -38.4 17.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.204 0.526 . . . . 99.99 110.156 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -119.3 81.45 22.05 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.776 -0.647 . . . . 99.99 109.527 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -93.41 129.35 0.71 Allowed 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.861 2.374 . . . . 10.0 112.451 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.8 mp -78.72 -24.89 44.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.507 0.67 . . . . 99.99 109.24 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -129.12 100.21 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.194 -0.912 . . . . 99.99 110.396 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -63.04 -26.39 68.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.022 -0.536 . . . . 99.99 110.913 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -70.91 -33.47 70.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.32 -0.4 . . . . 99.99 111.321 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.1 mp -88.79 -44.98 10.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.222 -0.445 . . . . 99.99 111.921 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.37 90.18 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.987 0.422 . . . . 99.99 111.287 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.06 -42.79 89.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.891 -0.595 . . . . 99.99 110.389 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 19.1 tp -58.57 -44.32 89.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 99.99 111.271 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.89 -32.78 73.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.047 -0.524 . . . . 99.99 110.84 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.0 m -80.46 -31.67 37.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.977 -0.556 . . . . 99.99 110.903 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -70.02 -54.04 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.365 -0.38 . . . . 99.99 110.597 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -146.67 105.6 3.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.191 -0.459 . . . . 99.99 110.413 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -58.08 -43.08 51.1 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.976 2.451 . . . . 10.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -64.81 -43.6 92.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.492 -0.322 . . . . 99.99 110.672 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.15 -46.34 88.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 99.99 110.092 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -65.4 -41.34 93.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.935 -0.575 . . . . 99.99 110.016 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -59.3 -44.05 92.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 99.99 110.695 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -60.44 -49.46 77.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 99.99 110.716 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -65.55 -35.46 80.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.832 -0.622 . . . . 99.99 110.891 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.53 80.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 99.99 110.551 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.36 -32.68 72.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 99.99 110.549 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -61.26 2.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.752 -0.658 . . . . 99.99 109.897 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -63.15 -38.63 91.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.933 -0.576 . . . . 99.99 112.485 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 33.4 m -59.56 -48.17 82.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.874 0.324 . . . . 99.99 111.874 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 30.1 mt -88.16 16.4 6.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.705 0.288 . . . . 99.99 111.36 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -122.04 -56.07 1.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.447 -0.342 . . . . 99.99 111.868 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -106.96 -2.22 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.047 0.388 . . . . 99.99 112.047 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -85.93 153.81 27.29 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.431 -0.89 . . . . 99.99 112.371 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 18.5 t -80.39 149.93 5.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 107.848 -1.167 . . . . 99.99 107.848 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -62.55 159.83 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.232 0.456 . . . . 99.99 112.232 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -86.95 117.53 68.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.851 -0.613 . . . . 99.99 111.092 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.983 2.455 . . . . 10.0 111.619 179.365 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.134 -0.321 . . . . 99.99 110.134 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -93.46 123.32 36.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.093 0.473 . . . . 99.99 111.971 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -127.91 175.95 8.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.129 -0.693 . . . . 99.99 109.129 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -129.46 140.3 51.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.906 0.384 . . . . 99.99 111.422 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -119.69 116.02 49.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.109 -0.701 . . . . 99.99 109.109 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -102.63 128.3 49.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.48 -0.327 . . . . 99.99 111.487 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.7 p -88.03 169.39 12.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.895 -0.593 . . . . 99.99 110.273 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.42 -31.18 70.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.394 -0.366 . . . . 99.99 111.929 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -26.67 61.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 99.99 111.445 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.04 -10.31 13.62 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.905 -0.664 . . . . 99.99 111.598 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -65.35 106.73 1.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.562 -0.532 . . . . 99.99 109.562 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -97.47 111.62 23.8 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.937 -0.574 . . . . 99.99 110.236 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 pt -98.57 148.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.93 0.395 . . . . 99.99 111.315 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -88.31 139.6 30.33 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.675 -0.693 . . . . 99.99 109.391 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 28.6 tp -137.34 130.68 31.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.663 0.268 . . . . 99.99 110.602 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -113.09 98.14 6.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.163 0.506 . . . . 99.99 111.165 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -133.21 160.09 42.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.429 -0.805 . . . . 99.99 109.567 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -95.35 158.66 34.3 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 110.515 -0.179 . . . . 99.99 110.515 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -61.53 -17.45 54.02 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.888 2.392 . . . . 10.0 112.598 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.78 1.69 54.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.209 -0.451 . . . . 99.99 111.312 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -77.78 154.88 31.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.892 0.377 . . . . 99.99 111.463 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -96.64 144.72 26.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.741 -0.663 . . . . 99.99 109.911 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.52 -40.33 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.792 0.293 . . . . 99.99 111.792 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -36.16 81.75 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.975 0.417 . . . . 99.99 110.714 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -69.85 -36.37 75.48 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.386 -0.598 . . . . 99.99 109.386 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.9 t -62.39 -42.55 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 99.99 109.516 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.94 -39.34 85.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.658 -0.701 . . . . 99.99 110.806 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.8 -31.8 72.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.516 . . . . 99.99 110.844 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.87 -36.67 62.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 99.99 110.622 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.45 -32.36 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.135 -1.061 . . . . 99.99 108.135 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -67.76 -22.44 65.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.813 -1.085 . . . . 99.99 109.811 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.72 -54.18 6.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.818 -0.628 . . . . 99.99 111.359 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -73.54 -38.0 65.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.345 0.868 . . . . 99.99 113.345 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -96.32 -62.91 1.2 Allowed 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.919 -0.312 . . . . 99.99 111.359 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.93 -5.08 9.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.803 -0.713 . . . . 99.99 112.088 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.2 mt -70.45 124.2 90.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 C-N-CA 122.113 0.165 . . . . 99.99 110.598 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.46 138.12 79.41 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 123.074 2.516 . . . . 10.0 111.949 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.92 -31.67 82.55 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.592 2.861 . . . . 10.0 113.339 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.81 -23.77 64.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.14 0.495 . . . . 99.99 111.126 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -96.78 4.02 51.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 99.99 110.651 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.04 117.79 33.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.895 -0.593 . . . . 99.99 110.998 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -114.95 100.35 8.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.937 -0.764 . . . . 99.99 108.937 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.8 mt -85.96 116.52 24.24 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.087 -0.506 . . . . 99.99 112.284 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 mm -112.42 125.65 69.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.424 -0.807 . . . . 99.99 110.141 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -150.75 140.69 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.524 -0.307 . . . . 99.99 110.326 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 22.49 12.18 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.422 0.451 . . . . 99.99 111.671 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.65 86.79 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.879 -0.601 . . . . 99.99 112.207 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -125.97 168.11 14.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.857 0.36 . . . . 99.99 110.438 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -97.91 133.76 41.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.905 -0.588 . . . . 99.99 109.807 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 45.9 mt -80.85 115.76 20.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.407 -0.36 . . . . 99.99 110.141 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.43 137.92 44.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.344 -0.389 . . . . 99.99 111.141 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.25 -33.34 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.821 -0.627 . . . . 99.99 112.112 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.33 12.22 69.86 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.771 -0.728 . . . . 99.99 112.796 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.29 164.53 12.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.113 -0.328 . . . . 99.99 110.113 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 45.3 p -113.73 167.9 10.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.544 -0.298 . . . . 99.99 110.964 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.31 -27.47 68.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 99.99 111.437 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -27.19 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.932 -0.576 . . . . 99.99 111.281 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -64.11 -42.43 96.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.085 0.469 . . . . 99.99 111.325 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -91.63 3.25 55.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.97 -0.559 . . . . 99.99 111.172 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.38 48.08 12.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.727 -0.669 . . . . 99.99 111.149 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.8 mt -81.37 127.69 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.654 -0.703 . . . . 99.99 109.591 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -104.25 -176.84 3.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.095 -0.502 . . . . 99.99 110.945 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.62 153.29 42.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.865 0.364 . . . . 99.99 111.69 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 68.51 10.67 8.01 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.397 0.888 . . . . 99.99 113.397 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.7 m -74.24 138.71 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.005 -0.368 . . . . 99.99 110.005 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -101.07 112.01 24.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.979 0.419 . . . . 99.99 111.073 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 29.4 mt -88.0 144.47 26.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.952 -0.567 . . . . 99.99 110.041 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -93.62 118.47 31.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.739 -0.467 . . . . 99.99 109.739 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 42.9 tp -102.61 102.63 12.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.082 0.468 . . . . 99.99 111.396 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 44.3 t -94.46 136.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.638 -0.71 . . . . 99.99 109.217 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -90.75 122.47 33.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.081 0.467 . . . . 99.99 111.384 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -107.46 98.14 7.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.676 -0.693 . . . . 99.99 110.243 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.74 125.48 33.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.256 -0.429 . . . . 99.99 110.702 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -92.24 85.21 5.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.034 -0.53 . . . . 99.99 111.353 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.39 136.08 5.56 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.721 -0.752 . . . . 99.99 112.971 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.977 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 1.2 m . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.801 -1.095 . . . . 99.99 109.23 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.532 0.206 . . . . 99.99 111.139 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -38.72 60.28 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.09 0.774 . . . . 99.99 113.09 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 56.9 ttm -54.62 -52.64 61.61 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 111.914 0.339 . . . . 99.99 111.914 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -71.06 -36.65 72.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.991 -0.284 . . . . 99.99 111.512 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.66 -47.07 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.905 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.47 -40.41 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 99.99 110.405 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -64.05 -43.98 93.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 99.99 110.595 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.33 -36.8 85.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 99.99 110.035 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.33 -48.94 77.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.762 -0.653 . . . . 99.99 109.252 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.69 -43.46 94.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.927 -0.579 . . . . 99.99 109.922 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.07 -50.23 74.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.723 -0.672 . . . . 99.99 111.086 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.9 mt -71.61 -27.69 63.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.637 -0.711 . . . . 99.99 112.808 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -77.48 -38.47 49.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.701 0.286 . . . . 99.99 111.07 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -75.0 -34.64 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.072 0.463 . . . . 99.99 109.945 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -126.28 76.67 72.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.719 -0.673 . . . . 99.99 109.976 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.27 129.64 3.3 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.623 2.215 . . . . 10.0 112.791 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -68.76 144.77 60.71 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.286 1.991 . . . . 10.0 110.478 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -52.85 -32.36 56.18 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 123.151 2.568 . . . . 10.0 113.679 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -80.5 -2.17 44.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.39 0.885 . . . . 99.99 113.39 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.8 tp -122.47 123.55 41.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.805 0.336 . . . . 99.99 110.659 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -126.68 159.59 33.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.273 -0.422 . . . . 99.99 110.918 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t30 51.69 64.94 1.65 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.854 -0.612 . . . . 99.99 111.37 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.6 tp -97.24 106.74 19.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.039 -0.528 . . . . 99.99 110.916 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 m -144.58 147.93 33.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.926 -0.579 . . . . 99.99 110.014 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.49 162.24 29.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.399 -0.364 . . . . 99.99 110.116 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -62.06 138.06 58.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.314 -0.624 . . . . 99.99 109.314 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.11 -12.99 61.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.499 0.555 . . . . 99.99 112.499 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.41 -40.78 4.03 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 111.902 0.334 . . . . 99.99 111.902 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -124.44 121.66 35.51 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.825 0.345 . . . . 99.99 111.599 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -67.79 -17.01 21.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 120.954 0.407 . . . . 99.99 111.826 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.73 3.97 30.89 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.871 0.367 . . . . 99.99 111.648 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -121.81 135.02 63.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.174 -0.676 . . . . 99.99 109.174 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -116.83 148.13 41.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.985 0.421 . . . . 99.99 111.405 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -125.65 122.6 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.464 -0.939 . . . . 99.99 108.464 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.3 160.86 43.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.068 0.461 . . . . 99.99 111.901 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 mt -110.29 122.63 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.633 -0.712 . . . . 99.99 109.979 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -95.13 132.92 39.52 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.671 -0.492 . . . . 99.99 109.671 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.67 96.34 36.6 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.117 -0.492 . . . . 99.99 111.015 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -68.09 157.32 62.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 10.0 110.879 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -109.33 -28.11 9.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.657 0.265 . . . . 99.99 111.674 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -65.49 133.0 95.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.598 -0.273 . . . . 99.99 110.752 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.25 143.29 48.06 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.314 2.01 . . . . 10.0 111.014 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -98.61 23.55 21.88 Favored 'Cis proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.992 -1.253 . . . . 10.0 112.192 -0.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -64.73 -20.81 66.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 99.99 111.28 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -78.85 10.14 3.62 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.659 0.614 . . . . 99.99 112.659 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.32 -31.03 25.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.626 0.25 . . . . 99.99 110.84 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -140.83 -164.34 1.72 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.459 -0.337 . . . . 99.99 110.549 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.14 156.49 42.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.439 -0.346 . . . . 99.99 110.407 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -122.85 138.79 54.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.534 -0.303 . . . . 99.99 110.542 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -94.35 134.22 37.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.741 0.305 . . . . 99.99 110.788 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 pp -119.66 154.15 34.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.075 -0.511 . . . . 99.99 111.027 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -121.66 115.82 23.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.827 -0.624 . . . . 99.99 110.33 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.3 mt -100.27 121.63 51.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.446 -0.576 . . . . 99.99 109.446 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -115.35 116.8 28.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.803 0.335 . . . . 99.99 110.773 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -92.98 135.46 25.89 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.202 -0.454 . . . . 99.99 110.669 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.56 155.32 13.94 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.414 2.076 . . . . 10.0 110.744 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.61 -15.28 48.77 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.429 2.086 . . . . 10.0 112.03 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -92.32 13.87 18.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.059 -0.518 . . . . 99.99 111.405 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -65.77 142.84 98.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.426 -0.583 . . . . 99.99 109.426 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -96.08 22.21 27.6 Favored 'Cis proline' 0 C--N 1.35 0.639 0 C-N-CA 124.119 -1.2 . . . . 10.0 113.323 0.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -75.87 -21.23 57.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.239 -0.652 . . . . 99.99 109.239 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -116.1 139.28 24.92 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.291 -0.868 . . . . 99.99 109.336 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.41 141.2 38.22 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.431 2.087 . . . . 10.0 112.345 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -76.25 136.13 17.6 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.518 2.145 . . . . 10.0 111.153 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 50.1 ttm -84.74 117.37 23.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.432 -0.349 . . . . 99.99 110.575 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.1 mt -115.53 128.15 72.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.776 -0.453 . . . . 99.99 109.776 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -144.68 169.63 17.63 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.636 -0.505 . . . . 99.99 109.636 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -92.68 138.83 31.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.676 0.274 . . . . 99.99 110.531 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.99 -22.09 23.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.481 0.657 . . . . 99.99 109.684 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.33 169.2 8.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 99.99 110.124 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -86.15 126.83 34.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.782 0.325 . . . . 99.99 111.182 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.8 tt -127.53 119.13 51.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.049 -0.523 . . . . 99.99 110.58 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -73.4 82.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 99.99 110.226 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -132.46 136.2 27.56 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 99.99 109.757 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.82 -0.87 4.29 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.954 2.436 . . . . 10.0 113.703 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -119.23 15.31 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.044 0.45 . . . . 99.99 110.401 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.65 148.54 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.77 -0.65 . . . . 99.99 109.412 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.41 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -98.46 171.12 8.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.65 -0.25 . . . . 99.99 110.979 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.62 -6.31 14.87 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.521 0.934 . . . . 99.99 113.521 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.41 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 47.6 m-80 -102.43 -7.36 22.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.25 0.547 . . . . 99.99 110.148 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.85 18.39 44.25 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.741 -0.663 . . . . 99.99 111.648 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -86.33 142.48 28.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.915 0.388 . . . . 99.99 110.887 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.3 pt -133.92 176.35 9.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.822 -0.627 . . . . 99.99 109.376 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 86.4 m -142.47 91.13 2.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.085 0.469 . . . . 99.99 109.961 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 81.8 mt -90.48 116.0 65.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.896 -0.593 . . . . 99.99 110.344 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.05 -26.34 68.21 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.781 2.321 . . . . 10.0 112.292 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.9 tt -66.88 -26.65 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-N 115.995 -0.548 . . . . 99.99 112.246 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.0 pt -115.34 16.03 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 111.934 0.346 . . . . 99.99 111.934 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.4 p -67.19 149.97 49.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.864 -0.421 . . . . 99.99 109.864 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 0.53 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.651 0.611 . . . . 99.99 112.651 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -121.2 2.01 10.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.881 -0.145 . . . . 99.99 111.327 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -137.94 3.01 2.42 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.651 0.611 . . . . 99.99 112.651 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -65.47 139.36 58.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.5 0.556 . . . . 99.99 112.5 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -131.36 127.06 21.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 N-CA-C 108.518 -0.919 . . . . 99.99 108.518 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.59 -21.7 69.8 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.726 2.284 . . . . 10.0 113.007 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.76 -9.25 59.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 99.99 111.881 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.46 130.51 35.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.684 0.278 . . . . 99.99 110.514 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -98.28 163.37 12.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.14 -0.482 . . . . 99.99 110.333 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.4 m -59.72 -34.85 73.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.503 . . . . 99.99 111.746 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -37.45 80.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.874 0.369 . . . . 99.99 111.317 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -70.66 -36.99 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.962 -0.563 . . . . 99.99 110.337 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.94 -41.57 84.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.571 . . . . 99.99 109.547 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.17 -37.95 84.75 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.814 -0.63 . . . . 99.99 110.914 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -66.09 -43.83 86.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.848 -0.427 . . . . 99.99 109.848 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.3 98.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.824 -0.625 . . . . 99.99 110.109 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.5 -47.42 85.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.828 -0.624 . . . . 99.99 109.486 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.21 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 99.99 110.817 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.8 t -67.34 -47.77 80.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.063 -0.517 . . . . 99.99 110.381 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.8 mt -64.94 -27.25 68.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.368 . . . . 99.99 111.859 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 53.6 t -73.86 -47.3 43.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.144 -0.317 . . . . 99.99 110.144 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -72.44 -33.87 67.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.997 -0.547 . . . . 99.99 110.95 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -119.78 90.51 43.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 99.99 110.178 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.19 122.86 10.97 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.036 2.491 . . . . 10.0 112.47 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -73.28 106.35 5.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.166 -0.47 . . . . 99.99 110.309 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.7 pp -82.94 -13.75 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.029 -0.532 . . . . 99.99 112.034 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 15.0 mtp-105 -68.49 -60.63 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.537 -0.542 . . . . 99.99 109.537 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -124.8 82.06 60.82 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.652 -0.704 . . . . 99.99 109.94 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -93.17 168.21 2.36 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.985 2.457 . . . . 10.0 111.88 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.23 -21.43 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.297 0.57 . . . . 99.99 109.615 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -128.07 96.63 4.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 99.99 110.563 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -62.2 -28.56 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 99.99 110.828 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -66.93 -47.03 72.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.855 -0.611 . . . . 99.99 110.98 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.5 mp -73.46 -36.13 65.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.047 -0.524 . . . . 99.99 110.98 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.6 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 99.99 111.106 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.03 -40.23 95.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 99.99 110.546 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 48.6 tp -60.7 -41.12 94.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 99.99 110.501 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.04 -27.11 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.81 -0.632 . . . . 99.99 110.839 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 m -84.19 -32.09 24.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.089 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -75.32 -54.34 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 99.99 111.372 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -149.42 99.53 3.39 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.863 0.363 . . . . 99.99 110.926 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.9 -35.2 98.35 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.163 2.575 . . . . 10.0 112.719 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -63.47 -47.59 81.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.537 0.208 . . . . 99.99 111.064 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 31.9 tp -59.4 -42.82 92.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.027 0.442 . . . . 99.99 110.291 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -66.04 -40.81 91.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 99.99 109.579 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -61.31 -39.41 90.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.739 . . . . 99.99 110.552 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -62.0 -47.5 84.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.969 0.414 . . . . 99.99 110.331 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -63.42 -45.5 90.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.813 -0.63 . . . . 99.99 110.556 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.63 78.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 99.99 110.922 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.39 -49.83 75.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.007 -0.542 . . . . 99.99 110.72 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.98 -45.61 84.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.854 -0.338 . . . . 99.99 110.704 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -57.33 -45.01 84.71 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.247 0.342 . . . . 99.99 111.765 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.2 m -63.74 -35.94 82.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.123 0.487 . . . . 99.99 110.824 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.42 19.44 9.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 99.99 111.077 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -130.56 -41.94 1.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.312 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -117.53 12.37 14.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.749 0.309 . . . . 99.99 111.288 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -101.22 152.76 18.95 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.586 -0.816 . . . . 99.99 112.352 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.84 161.5 2.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.715 -0.846 . . . . 99.99 108.715 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -59.28 147.55 35.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 99.99 111.491 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -108.62 111.87 60.93 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.189 -0.46 . . . . 99.99 111.885 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 C--O 1.248 0.994 0 C-N-CA 122.79 2.327 . . . . 10.0 112.317 179.845 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.751 0.31 . . . . 99.99 110.524 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -97.35 126.36 42.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.198 -0.456 . . . . 99.99 110.907 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.4 pt -123.14 160.59 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.288 -0.414 . . . . 99.99 110.084 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -122.19 118.54 28.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.936 0.398 . . . . 99.99 110.934 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.3 t -103.99 117.11 48.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.586 -0.524 . . . . 99.99 109.586 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -102.51 127.88 49.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.439 -0.346 . . . . 99.99 111.075 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -89.4 166.31 13.8 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.118 -0.492 . . . . 99.99 109.723 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.04 -23.74 67.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 99.99 110.668 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -6.96 52.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.6 -0.727 . . . . 99.99 111.296 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.74 -31.16 8.47 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.008 -0.615 . . . . 99.99 112.285 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -56.79 117.57 4.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.965 0.412 . . . . 99.99 111.484 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -103.27 122.88 45.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.306 -0.627 . . . . 99.99 109.306 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.6 pt -103.26 152.56 5.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.308 -0.406 . . . . 99.99 111.067 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -102.09 130.3 48.64 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.0 -0.546 . . . . 99.99 109.558 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 tp -133.01 145.95 51.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.855 0.36 . . . . 99.99 110.82 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -109.88 106.18 15.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.053 -0.522 . . . . 99.99 110.068 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 m -128.81 167.42 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 99.99 110.188 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -116.89 158.39 44.01 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 109.732 -0.47 . . . . 99.99 109.732 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.21 -16.19 38.93 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.433 2.089 . . . . 10.0 111.595 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -88.79 -3.83 58.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.735 -0.666 . . . . 99.99 111.142 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.05 130.14 37.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.831 0.348 . . . . 99.99 111.4 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.24 151.37 26.86 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.07 -0.715 . . . . 99.99 109.07 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -55.41 -41.63 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.777 0.322 . . . . 99.99 111.397 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.75 -32.94 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.174 0.511 . . . . 99.99 110.413 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -74.46 -36.82 63.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 99.99 109.96 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.37 -41.49 92.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.876 -0.602 . . . . 99.99 109.654 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -58.5 -41.34 85.13 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.078 -0.51 . . . . 99.99 110.887 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.35 97.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.845 -0.616 . . . . 99.99 110.729 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -65.28 -33.77 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 99.99 111.229 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.18 -40.27 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.531 -0.544 . . . . 99.99 109.531 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -70.9 -29.19 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.197 0.522 . . . . 99.99 109.829 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.12 -42.72 99.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.328 -0.851 . . . . 99.99 111.733 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -52.3 4.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.1 0.778 . . . . 99.99 113.1 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -75.49 -59.32 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 99.99 111.569 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.29 -6.56 10.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.645 -0.788 . . . . 99.99 112.503 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -68.84 121.81 82.74 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.571 -0.159 . . . . 99.99 110.571 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -62.56 138.09 68.18 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.917 2.411 . . . . 10.0 111.876 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.84 -25.96 55.0 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.378 2.719 . . . . 10.0 113.163 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -68.3 -18.43 64.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.18 0.514 . . . . 99.99 110.64 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -112.13 8.71 20.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 99.99 110.785 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -97.72 105.48 17.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.308 -0.406 . . . . 99.99 112.073 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -110.46 93.77 4.66 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.46 -0.57 . . . . 99.99 109.46 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 54.1 mt -84.3 124.65 31.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.84 -0.618 . . . . 99.99 112.349 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 34.3 mm -116.68 130.98 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.599 -0.728 . . . . 99.99 109.552 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -136.89 117.28 13.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.492 -0.322 . . . . 99.99 111.094 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.0 26.61 16.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.892 -0.595 . . . . 99.99 111.976 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.86 82.32 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.663 -0.78 . . . . 99.99 112.869 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -104.44 145.99 29.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.723 0.261 . . . . 99.99 110.724 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -88.67 127.83 35.59 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.319 -0.623 . . . . 99.99 109.319 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 48.4 mt -75.26 110.06 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.78 0.324 . . . . 99.99 110.998 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.9 131.72 40.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 99.99 110.261 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -48.94 -40.81 31.65 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.499 0.926 . . . . 99.99 113.499 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.1 9.27 67.01 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 114.932 0.733 . . . . 99.99 114.932 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -103.85 163.36 12.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.582 0.691 . . . . 99.99 111.237 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.39 166.51 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.214 -0.291 . . . . 99.99 110.214 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.04 -28.71 69.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.989 0.423 . . . . 99.99 110.844 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -29.05 67.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.891 -0.595 . . . . 99.99 110.688 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.21 -43.04 92.29 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.129 0.49 . . . . 99.99 111.272 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.75 7.91 39.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.987 -0.551 . . . . 99.99 111.418 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 58.04 44.82 18.85 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.536 0.684 . . . . 99.99 111.136 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -82.01 128.35 38.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.661 -0.699 . . . . 99.99 110.49 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.42 -165.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.967 -0.561 . . . . 99.99 110.329 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 151.21 35.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.538 -0.301 . . . . 99.99 111.011 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 68.49 19.08 8.86 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.777 -0.647 . . . . 99.99 112.317 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -78.56 130.97 36.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.408 -0.36 . . . . 99.99 110.43 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -93.72 114.69 27.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.089 0.471 . . . . 99.99 110.832 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 72.0 mt -98.33 143.47 28.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.114 -0.698 . . . . 99.99 109.114 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -103.01 116.49 32.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.68 0.276 . . . . 99.99 110.257 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 52.8 tp -97.24 106.41 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.159 0.504 . . . . 99.99 111.376 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 45.1 t -93.32 118.07 38.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.718 -0.673 . . . . 99.99 109.279 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.31 113.68 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.357 -0.383 . . . . 99.99 111.298 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -98.02 105.5 17.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 99.99 110.337 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 tp -85.78 127.81 34.64 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.863 -0.421 . . . . 99.99 109.863 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -107.76 98.75 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.423 -0.353 . . . . 99.99 110.935 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.95 85.81 1.24 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.748 -0.739 . . . . 99.99 112.462 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.18 -0.914 . . . . 99.99 110.169 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.703 0.287 . . . . 99.99 111.532 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -35.76 65.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.182 0.808 . . . . 99.99 113.182 -178.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mmm -56.48 -31.84 64.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.87 0.366 . . . . 99.99 111.977 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -91.56 -36.21 13.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.842 0.353 . . . . 99.99 110.173 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.6 t -57.98 -48.27 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.939 -0.573 . . . . 99.99 111.236 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.66 -38.54 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.948 0.404 . . . . 99.99 110.175 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -51.04 63.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 99.99 110.876 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -62.66 -37.53 86.73 Favored 'General case' 0 N--CA 1.46 0.059 0 CA-C-O 120.487 0.185 . . . . 99.99 111.032 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.43 -55.7 25.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.49 -0.323 . . . . 99.99 110.167 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -59.21 -36.82 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.742 -0.663 . . . . 99.99 110.301 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.54 -49.05 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.548 -0.751 . . . . 99.99 110.869 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.48 -24.76 64.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 99.99 111.71 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -73.97 -22.88 59.46 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.066 0.46 . . . . 99.99 110.39 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -78.25 -40.94 35.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.549 . . . . 99.99 109.736 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.46 80.28 70.63 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.606 -0.725 . . . . 99.99 109.669 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.16 142.57 15.33 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.476 2.117 . . . . 10.0 112.4 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.94 145.78 63.09 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.283 1.989 . . . . 10.0 111.182 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.49 -0.97 2.17 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 123.262 2.641 . . . . 10.0 114.056 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -121.13 8.28 10.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.779 0.288 . . . . 99.99 111.779 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.6 tp -145.8 111.88 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.796 0.331 . . . . 99.99 110.561 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -128.51 173.25 10.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.231 -0.441 . . . . 99.99 111.316 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 m120 65.15 27.49 12.34 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.069 -0.514 . . . . 99.99 111.616 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.3 tp -67.94 105.28 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.19 0.519 . . . . 99.99 110.954 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.39 161.4 36.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.732 -0.667 . . . . 99.99 109.806 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.41 173.39 9.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.9 -0.407 . . . . 99.99 109.9 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.86 171.9 10.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.409 -0.589 . . . . 99.99 109.409 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -87.68 -24.1 23.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.948 0.404 . . . . 99.99 111.326 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.03 4.59 10.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.312 0.486 . . . . 99.99 112.312 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -153.04 138.19 17.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.821 0.343 . . . . 99.99 111.132 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.47 -11.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.144 0.497 . . . . 99.99 110.5 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.01 5.18 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.533 . . . . 99.99 111.452 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.17 115.81 48.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.09 -0.337 . . . . 99.99 110.09 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 44.6 m0 -97.95 141.8 30.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.247 -0.433 . . . . 99.99 111.398 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -125.76 121.59 33.79 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.411 -0.959 . . . . 99.99 108.411 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.54 165.79 32.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.936 0.398 . . . . 99.99 111.599 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.8 mt -111.83 120.25 41.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.788 -0.642 . . . . 99.99 110.11 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.7 tp -91.74 135.59 33.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.399 -0.593 . . . . 99.99 109.399 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 mp -122.26 93.93 48.22 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.341 -0.39 . . . . 99.99 111.24 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.39 150.91 59.15 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.615 2.21 . . . . 10.0 110.84 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.05 -29.4 13.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.834 0.35 . . . . 99.99 110.969 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -60.55 131.9 90.88 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.51 . . . . 99.99 111.158 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.32 144.75 51.93 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.824 2.349 . . . . 10.0 111.007 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -99.02 23.53 21.27 Favored 'Cis proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.926 -1.281 . . . . 10.0 111.908 -0.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -68.87 -13.0 62.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.475 . . . . 99.99 112.037 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -82.16 9.86 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.028 0.751 . . . . 99.99 113.028 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.94 -33.65 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.855 0.359 . . . . 99.99 111.025 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -135.53 -173.26 3.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.305 -0.407 . . . . 99.99 110.513 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.39 156.32 32.91 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.957 -0.386 . . . . 99.99 109.957 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -121.72 128.19 51.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.719 0.295 . . . . 99.99 110.88 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -85.23 130.53 34.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.392 -0.367 . . . . 99.99 110.847 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 pp -118.11 154.96 31.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.213 -0.449 . . . . 99.99 111.034 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.79 116.79 25.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 99.99 110.244 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.8 mt -102.14 114.27 41.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.643 -0.503 . . . . 99.99 109.643 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.67 115.51 30.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.501 -0.318 . . . . 99.99 111.089 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -92.23 124.93 58.25 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.238 -0.437 . . . . 99.99 110.713 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.74 153.42 33.72 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.312 2.008 . . . . 10.0 110.901 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.57 -15.46 50.1 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.526 2.151 . . . . 10.0 111.909 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.52 18.38 11.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 99.99 111.11 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -68.68 143.8 95.42 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.63 -0.507 . . . . 99.99 109.63 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -95.85 17.02 36.44 Favored 'Cis proline' 0 C--N 1.349 0.596 0 C-N-CA 124.097 -1.21 . . . . 10.0 113.101 0.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -68.57 -29.66 68.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.27 -0.641 . . . . 99.99 109.27 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.4 133.79 20.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.01 -0.995 . . . . 99.99 109.125 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.33 145.82 78.86 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.756 2.304 . . . . 10.0 112.719 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.43 139.14 22.87 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.712 2.275 . . . . 10.0 111.882 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 49.8 mtm -89.94 106.97 18.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 99.99 110.288 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.4 mt -111.55 131.95 61.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.309 . . . . 99.99 110.67 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -144.17 162.18 36.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.74 -0.467 . . . . 99.99 109.74 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -96.42 134.74 39.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.677 0.275 . . . . 99.99 110.611 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 m -86.51 -35.21 19.71 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.731 -0.84 . . . . 99.99 108.731 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 m -82.75 139.26 33.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.07 -0.968 . . . . 99.99 110.754 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -70.52 106.95 3.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 99.99 110.456 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.2 tt -110.15 121.51 63.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.056 0.455 . . . . 99.99 111.239 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -77.64 78.0 4.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 99.99 110.21 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -127.14 134.35 26.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.962 -0.563 . . . . 99.99 109.795 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -60.23 -16.24 39.36 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 123.212 2.608 . . . . 10.0 114.057 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -107.0 18.7 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.767 0.318 . . . . 99.99 111.213 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.9 t -135.71 142.93 37.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.926 -0.768 . . . . 99.99 108.926 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -89.5 168.55 12.09 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.434 -0.21 . . . . 99.99 110.434 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -60.13 -24.16 64.46 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.374 0.879 . . . . 99.99 113.374 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 58.2 t30 -84.92 -24.17 28.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.2 0.524 . . . . 99.99 110.885 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.69 17.02 9.45 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.879 -0.677 . . . . 99.99 112.574 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -81.3 142.04 33.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.02 -0.363 . . . . 99.99 110.02 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.3 pt -132.03 144.57 36.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.233 -0.439 . . . . 99.99 111.146 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 50.7 m -107.61 95.64 5.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 99.99 110.18 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.4 tp -100.47 112.19 63.99 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 99.99 110.138 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.77 -33.23 79.95 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.435 2.757 . . . . 10.0 114.055 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.5 tt -66.26 -20.42 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.271 0.471 . . . . 99.99 112.271 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 29.2 pt -120.98 25.61 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.283 0.563 . . . . 99.99 110.648 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 84.2 p -77.3 155.49 32.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 99.99 109.516 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -72.09 -1.43 14.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.963 0.411 . . . . 99.99 112.053 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -117.7 -4.63 11.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.519 -0.31 . . . . 99.99 111.82 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -149.13 53.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.096 0.474 . . . . 99.99 110.886 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -119.27 137.15 53.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 99.99 110.917 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.82 128.9 24.77 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.855 -0.611 . . . . 99.99 109.903 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.39 -10.41 23.85 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.054 2.503 . . . . 10.0 113.167 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -87.48 1.44 53.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.126 0.488 . . . . 99.99 111.28 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.6 m -85.57 135.47 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 99.99 110.117 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -90.6 156.25 18.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.343 -0.389 . . . . 99.99 109.972 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.5 m -61.16 -30.26 70.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.999 0.428 . . . . 99.99 111.32 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -35.84 80.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.658 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -68.05 -37.88 81.84 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.235 -0.439 . . . . 99.99 110.313 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.12 -45.07 99.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.91 -0.587 . . . . 99.99 109.918 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.48 -37.69 87.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 99.99 110.51 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.07 -51.57 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.641 . . . . 99.99 110.161 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.83 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.915 -0.584 . . . . 99.99 111.059 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.27 -47.33 84.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.531 . . . . 99.99 110.479 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -56.85 -35.02 68.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.951 -0.568 . . . . 99.99 110.999 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.0 t -63.46 -49.07 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.559 . . . . 99.99 110.374 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.1 mt -69.05 -25.11 64.3 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.074 0.398 . . . . 99.99 112.074 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -71.99 -47.28 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.913 0.387 . . . . 99.99 110.358 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -79.48 -26.87 41.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.004 -0.544 . . . . 99.99 111.14 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -115.48 93.72 37.47 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.931 -0.396 . . . . 99.99 109.931 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.12 113.26 2.77 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.576 2.184 . . . . 10.0 111.985 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -75.21 102.52 5.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.065 -0.516 . . . . 99.99 110.42 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 pt -81.84 -7.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 99.99 111.865 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.2 mtp-105 -80.14 -53.28 6.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.291 -0.633 . . . . 99.99 109.291 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -123.3 79.4 53.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.413 -0.812 . . . . 99.99 109.858 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -98.89 -177.17 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.108 2.539 . . . . 10.0 112.052 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.4 mp -103.33 -35.17 8.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.221 0.534 . . . . 99.99 109.584 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.8 mtp85 -119.34 104.23 10.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.71 -0.677 . . . . 99.99 109.895 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -61.76 -36.83 82.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.482 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.0 p-10 -60.22 -45.06 94.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.389 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.8 mp -71.01 -41.81 70.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 99.99 110.856 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.71 -49.59 74.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 99.99 111.469 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.16 -37.65 86.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.355 -0.384 . . . . 99.99 110.928 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.63 -41.18 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 99.99 110.431 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.99 -30.41 70.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.984 -0.553 . . . . 99.99 110.902 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.79 -42.29 28.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.327 -0.397 . . . . 99.99 110.15 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -67.65 -60.21 2.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 99.99 111.721 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -139.56 99.43 7.77 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 120.777 0.322 . . . . 99.99 111.01 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.22 -29.62 90.87 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.029 2.486 . . . . 10.0 112.646 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -69.8 -48.73 58.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.833 -0.167 . . . . 99.99 111.093 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 31.2 tp -57.85 -44.08 86.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.905 0.383 . . . . 99.99 110.59 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -64.99 -44.92 87.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 99.99 110.073 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -59.69 -42.65 93.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.806 -0.634 . . . . 99.99 110.823 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -63.2 -43.73 97.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.197 -0.456 . . . . 99.99 110.871 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -66.26 -47.13 74.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.076 -0.511 . . . . 99.99 110.071 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.47 91.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.92 -0.582 . . . . 99.99 111.107 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -57.18 -51.76 68.04 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.184 -0.462 . . . . 99.99 110.541 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -59.46 -43.5 93.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.736 -0.666 . . . . 99.99 111.181 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -63.79 -40.82 97.58 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.356 -0.384 . . . . 99.99 111.091 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 28.2 m -62.88 -40.95 99.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 99.99 109.931 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.6 mt -87.89 17.4 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.179 0.514 . . . . 99.99 110.816 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -116.26 -59.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 99.99 110.851 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.49 -15.19 14.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 99.99 111.845 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -63.45 145.63 50.02 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.185 -0.531 . . . . 99.99 113.705 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 17.0 t -77.69 149.1 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.208 -1.034 . . . . 99.99 108.208 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -57.8 144.64 37.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.63 0.252 . . . . 99.99 111.379 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -74.84 111.56 13.83 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.051 -0.522 . . . . 99.99 111.147 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 C--O 1.251 1.137 0 C-N-CA 122.948 2.432 . . . . 10.0 111.62 179.824 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.829 0.347 . . . . 99.99 110.771 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.11 126.57 47.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.007 -0.542 . . . . 99.99 111.663 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.3 pt -127.06 169.64 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.915 -0.584 . . . . 99.99 109.435 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -122.25 137.3 54.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.863 0.363 . . . . 99.99 111.256 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -116.78 119.86 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.433 -0.58 . . . . 99.99 109.433 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -108.83 135.45 50.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.843 0.354 . . . . 99.99 111.209 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -100.63 -177.73 3.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.044 -0.526 . . . . 99.99 111.062 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.76 -13.47 60.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 99.99 112.164 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.1 p -93.77 -7.61 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.897 0.38 . . . . 99.99 110.702 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.91 -11.62 62.42 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.431 -0.668 . . . . 99.99 111.431 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -63.74 111.73 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.027 -0.36 . . . . 99.99 110.027 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -109.6 120.21 41.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.848 -0.614 . . . . 99.99 110.408 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 18.6 pt -110.58 159.07 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.167 -0.47 . . . . 99.99 110.944 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 142.76 26.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.97 -0.752 . . . . 99.99 108.97 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 tp -130.95 133.56 45.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.053 0.454 . . . . 99.99 111.956 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.84 103.91 15.91 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.535 -0.757 . . . . 99.99 109.411 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 m -138.14 172.73 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.914 0.388 . . . . 99.99 111.049 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -125.49 159.29 61.13 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.851 -0.796 . . . . 99.99 108.851 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -58.21 -27.46 80.58 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.144 1.896 . . . . 10.0 111.525 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.84 4.29 37.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.871 -0.604 . . . . 99.99 111.902 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -81.31 138.68 35.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.842 0.353 . . . . 99.99 111.059 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.62 150.62 22.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.719 -0.673 . . . . 99.99 110.127 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.96 -33.61 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.669 0.271 . . . . 99.99 111.475 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.76 -36.04 81.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.937 0.398 . . . . 99.99 110.586 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -77.82 -32.01 51.98 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.598 -0.519 . . . . 99.99 109.598 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.39 -46.59 96.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.586 -0.734 . . . . 99.99 109.123 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.456 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 88.4 mttt -62.22 -38.34 88.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.829 -0.623 . . . . 99.99 110.281 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.44 95.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.722 -0.672 . . . . 99.99 110.558 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.89 -37.41 84.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 99.99 110.838 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.69 -39.61 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.28 -0.637 . . . . 99.99 109.28 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.35 -28.06 69.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.694 -0.684 . . . . 99.99 110.68 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.56 -47.7 53.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.097 -0.501 . . . . 99.99 112.082 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -83.34 -49.76 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.755 1.02 . . . . 99.99 113.755 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.04 -45.51 18.21 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.424 0.527 . . . . 99.99 112.424 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.49 27.18 9.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.376 -0.916 . . . . 99.99 111.803 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -101.84 123.36 44.13 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.649 -0.5 . . . . 99.99 109.649 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -54.31 133.24 54.99 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.897 2.398 . . . . 10.0 112.232 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.09 -27.83 75.97 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.252 2.634 . . . . 10.0 112.959 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.38 -30.85 71.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.365 0.603 . . . . 99.99 110.777 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -95.38 6.26 49.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.693 -0.685 . . . . 99.99 111.174 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -96.15 99.39 11.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 99.99 112.0 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -98.24 87.7 3.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.199 -0.667 . . . . 99.99 109.199 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 37.3 mt -74.91 119.98 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.644 -0.707 . . . . 99.99 111.8 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mm -118.73 131.53 71.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.744 -0.662 . . . . 99.99 110.102 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -138.6 127.49 23.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.987 -0.375 . . . . 99.99 109.987 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.4 27.51 15.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.059 -0.518 . . . . 99.99 111.538 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.44 7.03 88.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.029 -0.605 . . . . 99.99 113.056 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -116.61 150.27 38.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.718 -0.284 . . . . 99.99 110.502 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -84.01 141.98 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.937 -0.394 . . . . 99.99 109.937 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 45.8 mt -96.02 113.25 24.84 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.006 -0.543 . . . . 99.99 110.737 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -78.93 132.33 36.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.118 -0.492 . . . . 99.99 110.308 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.456 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 14.8 m-20 -52.54 -33.37 45.16 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.704 0.631 . . . . 99.99 112.704 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.14 -18.79 80.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.945 -0.645 . . . . 99.99 113.154 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -85.84 162.52 18.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.254 0.55 . . . . 99.99 111.139 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.8 p -107.27 167.55 9.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.499 -0.773 . . . . 99.99 109.373 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.32 -34.1 76.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.719 0.295 . . . . 99.99 110.954 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.7 p -67.89 -27.01 66.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 99.99 111.146 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -61.32 -40.83 95.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 99.99 110.651 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -94.48 0.76 55.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.1 -0.5 . . . . 99.99 110.494 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 65.88 40.83 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.579 -0.737 . . . . 99.99 111.393 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 46.7 mt -87.36 119.3 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.865 -0.607 . . . . 99.99 109.722 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -108.86 -169.43 1.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.222 -0.444 . . . . 99.99 110.666 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -70.82 161.9 30.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.78 0.324 . . . . 99.99 111.378 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.45 18.3 11.27 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.904 0.705 . . . . 99.99 112.904 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -92.78 150.22 20.78 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.922 -0.399 . . . . 99.99 109.922 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.9 m -112.2 117.06 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.896 0.379 . . . . 99.99 111.493 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 55.5 mt -95.73 147.38 23.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.226 -0.657 . . . . 99.99 109.226 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -103.44 123.02 46.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.655 0.264 . . . . 99.99 110.479 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 34.9 tp -102.47 102.91 13.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.207 0.527 . . . . 99.99 111.561 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 64.6 t -90.74 127.2 43.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.964 -0.754 . . . . 99.99 108.964 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.84 125.67 31.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.164 0.507 . . . . 99.99 111.889 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -98.44 112.53 24.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.56 -0.745 . . . . 99.99 109.813 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mp -88.42 92.79 9.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.084 0.469 . . . . 99.99 111.682 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.88 109.23 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.785 -0.643 . . . . 99.99 109.94 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.78 60.58 0.22 Allowed Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.178 -0.769 . . . . 99.99 111.178 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.037 0 CA-C-O 117.965 -1.017 . . . . 99.99 109.523 -179.22 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.396 0.141 . . . . 99.99 111.372 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.45 -37.7 62.86 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.092 0.775 . . . . 99.99 113.092 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -55.05 -51.63 65.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.81 0.338 . . . . 99.99 111.133 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -68.13 -37.88 81.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.415 -0.357 . . . . 99.99 110.694 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.8 t -57.47 -46.64 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 99.99 110.461 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.94 -39.49 85.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 121.053 0.454 . . . . 99.99 110.269 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -42.6 97.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 99.99 110.319 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -70.38 -34.22 72.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.0 0.428 . . . . 99.99 110.652 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.74 -52.98 61.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.796 -0.638 . . . . 99.99 109.583 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.75 -9.33 58.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 99.99 111.157 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.2 -55.29 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.283 -0.636 . . . . 99.99 109.283 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.77 -17.63 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.649 -0.705 . . . . 99.99 111.443 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -70.56 -22.1 62.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 99.99 111.062 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -89.23 -38.63 14.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 99.99 110.696 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -131.07 80.27 69.39 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 99.99 110.673 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -86.32 141.64 6.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.371 2.047 . . . . 10.0 111.805 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -66.48 151.0 83.98 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.351 2.034 . . . . 10.0 111.201 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -57.99 -24.19 64.11 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.911 2.408 . . . . 10.0 113.299 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -93.21 11.93 26.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.521 0.563 . . . . 99.99 112.521 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 tp -137.63 116.98 12.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.679 0.276 . . . . 99.99 110.257 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -122.98 152.54 40.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.527 -0.306 . . . . 99.99 111.101 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.48 41.13 23.17 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.75 -0.659 . . . . 99.99 112.612 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.8 tp -74.76 94.82 2.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.849 0.357 . . . . 99.99 110.16 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -134.88 161.51 35.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.266 -0.424 . . . . 99.99 110.529 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.69 177.38 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.12 -0.326 . . . . 99.99 110.12 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -76.4 167.34 22.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.78 0.324 . . . . 99.99 110.959 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.85 -32.46 72.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.128 -0.487 . . . . 99.99 111.534 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.18 -38.5 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.508 0.559 . . . . 99.99 112.508 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -93.68 123.32 36.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 99.99 111.263 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.58 -15.58 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 99.99 110.932 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.0 mt -90.35 5.87 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 99.99 111.293 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.8 t -120.82 120.95 63.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.933 -0.395 . . . . 99.99 109.933 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 46.9 m0 -106.94 146.71 30.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.101 0.477 . . . . 99.99 110.946 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -124.21 125.8 45.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.903 -1.147 . . . . 99.99 107.903 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.4 153.25 35.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.834 -0.346 . . . . 99.99 111.479 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.2 mt -101.46 114.57 28.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.989 -0.551 . . . . 99.99 110.416 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.5 tp -84.67 133.75 34.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.565 -0.531 . . . . 99.99 109.565 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 mp -115.57 85.73 14.2 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.257 -0.429 . . . . 99.99 111.124 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.56 137.22 41.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.302 2.001 . . . . 10.0 110.296 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -88.12 -33.46 18.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.739 0.304 . . . . 99.99 111.396 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -60.88 126.87 86.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.101 -0.499 . . . . 99.99 110.979 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.36 152.57 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.416 2.077 . . . . 10.0 111.236 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -92.88 17.26 42.09 Favored 'Cis proline' 0 N--CA 1.461 -0.437 0 C-N-CA 123.74 -1.358 . . . . 10.0 112.33 0.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -73.12 -0.49 14.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.102 0.477 . . . . 99.99 110.988 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -84.21 -6.02 59.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.006 -0.543 . . . . 99.99 110.972 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.5 mt -81.61 -30.05 33.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.208 0.447 . . . . 99.99 112.208 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -137.73 -168.4 2.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.607 0.242 . . . . 99.99 111.03 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.85 154.84 43.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.07 -0.514 . . . . 99.99 109.823 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -124.95 121.01 33.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.528 -0.305 . . . . 99.99 110.728 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -79.3 139.12 37.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.446 -0.343 . . . . 99.99 110.674 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pp -120.24 152.81 37.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.27 -0.423 . . . . 99.99 110.834 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -116.6 113.77 23.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 99.99 110.337 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.5 mt -99.4 113.37 34.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.51 -0.552 . . . . 99.99 109.51 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.06 107.98 18.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.896 0.379 . . . . 99.99 110.871 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -83.75 132.91 47.46 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.196 -0.456 . . . . 99.99 110.811 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -82.83 150.08 14.2 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.311 2.008 . . . . 10.0 110.833 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -59.86 -18.11 47.52 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.53 2.153 . . . . 10.0 112.628 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -84.66 5.02 29.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 99.99 111.587 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -56.0 137.17 73.29 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 110.343 -0.243 . . . . 99.99 110.343 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -99.58 27.58 15.73 Favored 'Cis proline' 0 C--N 1.35 0.615 0 C-N-CA 124.241 -1.149 . . . . 10.0 113.565 0.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -76.09 -25.58 55.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.245 -0.65 . . . . 99.99 109.245 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -118.78 137.74 25.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.227 -0.897 . . . . 99.99 109.672 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.61 146.03 77.99 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.856 2.371 . . . . 10.0 112.927 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.39 137.54 25.81 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.628 2.219 . . . . 10.0 111.601 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.0 mtm -84.76 107.61 17.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.17 -0.468 . . . . 99.99 110.502 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.4 mt -111.18 129.62 66.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.739 0.304 . . . . 99.99 110.47 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -139.51 165.06 28.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.086 -0.506 . . . . 99.99 109.864 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -91.12 135.38 33.81 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 121.039 -0.265 . . . . 99.99 111.039 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -89.63 -33.6 16.61 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.769 -0.826 . . . . 99.99 108.769 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 m -90.8 138.17 31.79 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.179 -0.919 . . . . 99.99 109.597 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -70.27 114.64 8.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.755 0.312 . . . . 99.99 110.682 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.6 tt -118.5 128.31 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.212 0.53 . . . . 99.99 111.643 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -81.75 79.88 8.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.535 . . . . 99.99 110.315 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -124.8 138.55 31.57 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 99.99 109.95 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.36 -0.43 4.26 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.138 2.559 . . . . 10.0 113.557 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -120.72 15.45 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.989 0.423 . . . . 99.99 110.31 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.1 t -132.89 147.3 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 108.433 -0.951 . . . . 99.99 108.433 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.16 174.36 7.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.694 0.283 . . . . 99.99 110.902 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.48 -32.06 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 99.99 111.983 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.61 -49.36 26.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.956 0.408 . . . . 99.99 110.855 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.51 20.66 0.69 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.763 -0.653 . . . . 99.99 111.821 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -86.49 146.65 26.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 99.99 110.3 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.0 pt -137.36 157.41 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.874 -0.603 . . . . 99.99 110.493 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 18.1 m -119.62 127.81 53.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.112 -0.494 . . . . 99.99 109.671 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 mp -128.55 121.22 21.14 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.411 -0.359 . . . . 99.99 110.951 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -61.24 -26.3 81.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.721 2.281 . . . . 10.0 111.768 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.6 tt -67.83 -25.74 33.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.877 -0.601 . . . . 99.99 112.056 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.4 pt -123.2 21.17 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 99.99 110.7 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.9 p -74.52 149.86 40.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 99.99 111.366 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -11.38 54.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.073 0.463 . . . . 99.99 110.97 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -100.85 -5.27 26.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 99.99 110.144 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -163.59 103.15 0.93 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.062 -0.517 . . . . 99.99 110.861 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -150.08 138.29 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.399 . . . . 99.99 110.509 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -120.76 123.48 27.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.637 -0.505 . . . . 99.99 109.637 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -64.2 -12.81 34.45 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.826 2.351 . . . . 10.0 112.396 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.73 -0.27 57.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 99.99 111.518 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.0 m -82.38 127.05 32.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.483 -0.326 . . . . 99.99 110.845 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -92.09 161.11 14.9 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.828 -0.434 . . . . 99.99 109.828 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -57.39 -33.02 67.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.953 0.406 . . . . 99.99 111.333 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -33.29 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 99.99 111.4 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -75.24 -41.13 58.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.227 -0.442 . . . . 99.99 110.373 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.49 -45.54 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.791 -0.64 . . . . 99.99 110.455 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.93 -38.08 89.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 99.99 110.821 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.96 -46.91 76.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 99.99 110.116 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.28 83.59 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.804 -0.635 . . . . 99.99 110.55 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.7 tp -64.95 -45.43 85.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 99.99 110.324 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -55.21 -39.48 69.71 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.021 -0.536 . . . . 99.99 110.723 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.7 -44.61 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.541 . . . . 99.99 110.232 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.72 -28.46 69.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 99.99 111.562 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.0 t -76.07 -48.43 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.529 -0.305 . . . . 99.99 110.942 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -73.91 -27.62 61.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 99.99 111.17 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -118.92 92.79 45.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.834 -0.432 . . . . 99.99 109.834 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.56 116.15 3.93 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.655 2.237 . . . . 10.0 111.641 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.37 106.56 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.136 -0.484 . . . . 99.99 110.423 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 19.1 pt -85.16 -11.0 11.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.618 -0.719 . . . . 99.99 111.612 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -75.04 -60.03 2.47 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.659 -0.497 . . . . 99.99 109.659 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.99 80.19 34.03 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.702 -0.681 . . . . 99.99 109.717 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -94.03 174.85 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.792 2.328 . . . . 10.0 111.759 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.6 mp -98.57 -12.68 20.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.24 0.543 . . . . 99.99 109.85 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -130.93 115.5 16.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.698 -0.683 . . . . 99.99 111.007 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 88.0 mtp -74.5 -11.15 60.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.102 -0.499 . . . . 99.99 111.438 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -90.68 -57.11 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.316 -0.402 . . . . 99.99 111.54 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 mp -62.17 -40.34 95.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.22 -0.445 . . . . 99.99 111.895 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.28 89.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.695 0.283 . . . . 99.99 111.005 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.09 -41.49 74.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.051 -0.522 . . . . 99.99 110.254 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.21 -40.98 95.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.877 -0.602 . . . . 99.99 110.364 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.44 -38.62 91.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.83 -0.623 . . . . 99.99 111.319 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -35.19 62.16 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.981 -0.287 . . . . 99.99 111.105 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -70.63 -52.55 20.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 99.99 110.938 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -148.38 97.23 3.82 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.328 -0.397 . . . . 99.99 110.407 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.45 -38.64 93.78 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.287 2.658 . . . . 10.0 113.284 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -64.48 -43.14 95.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.73 -0.214 . . . . 99.99 111.308 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.0 tp -59.22 -45.92 89.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.012 0.434 . . . . 99.99 110.325 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -66.19 -41.29 90.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.791 -0.64 . . . . 99.99 109.992 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.448 HH12 ' CD ' ' A' ' 140' ' ' GLU . 23.7 ttp85 -61.04 -35.12 76.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 99.99 111.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -63.23 -53.75 48.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 99.99 111.051 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -61.18 -42.64 98.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.138 0.494 . . . . 99.99 109.833 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.14 83.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 99.99 110.971 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.448 ' CD ' HH12 ' A' ' 136' ' ' ARG . 18.5 tt0 -62.53 -48.61 78.77 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.806 0.336 . . . . 99.99 110.271 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -61.93 -42.15 98.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.023 -0.535 . . . . 99.99 109.986 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.09 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 99.99 110.649 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 32.7 m -63.43 -39.31 94.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 99.99 111.248 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 94.2 mt -81.35 -13.69 58.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.005 0.431 . . . . 99.99 111.726 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -92.13 -55.89 3.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.341 0.497 . . . . 99.99 112.341 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -99.69 -23.02 15.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.746 0.647 . . . . 99.99 112.746 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -60.4 140.52 48.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.127 -0.559 . . . . 99.99 113.408 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.5 t -81.01 152.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.782 -0.821 . . . . 99.99 108.782 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.81 133.54 51.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.713 0.292 . . . . 99.99 111.438 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -77.23 119.21 76.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.864 -0.607 . . . . 99.99 111.259 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo . . . . . 0 C--O 1.247 0.944 0 C-N-CA 123.009 2.473 . . . . 10.0 112.02 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.855 0.359 . . . . 99.99 110.641 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -85.35 127.52 34.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 99.99 112.393 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.9 pt -129.27 162.67 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.128 -0.693 . . . . 99.99 109.128 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -119.51 131.47 55.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.53 0.205 . . . . 99.99 110.776 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.7 t -113.68 112.05 38.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.882 -0.414 . . . . 99.99 109.882 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -99.65 131.0 45.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.397 -0.365 . . . . 99.99 111.045 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 55.2 p -96.39 175.27 6.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.261 -0.427 . . . . 99.99 110.445 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.2 mt -72.29 -15.42 61.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.965 0.412 . . . . 99.99 110.703 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.59 10.41 30.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.868 -0.605 . . . . 99.99 111.147 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.24 -38.75 3.06 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.014 -0.612 . . . . 99.99 112.375 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.441 ' HZ2' ' CD ' ' B' ' 34' ' ' GLU . 76.6 tttt -46.4 115.12 0.94 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.11 0.564 . . . . 99.99 111.254 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -108.64 119.55 39.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.939 -0.573 . . . . 99.99 109.713 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 pt -104.98 155.77 6.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.968 0.413 . . . . 99.99 111.405 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.46 142.78 30.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.716 -0.675 . . . . 99.99 109.185 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 tp -139.51 139.52 36.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.008 0.432 . . . . 99.99 111.703 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -99.18 107.94 20.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.535 -0.757 . . . . 99.99 109.568 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 m -137.66 168.71 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.023 -0.535 . . . . 99.99 110.2 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -125.14 154.69 71.68 Favored Pre-proline 0 C--N 1.319 -0.757 0 N-CA-C 109.147 -0.686 . . . . 99.99 109.147 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -52.0 -29.08 34.5 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.671 2.247 . . . . 10.0 113.034 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.31 -0.74 47.02 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.433 -0.349 . . . . 99.99 111.933 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.7 140.58 40.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.71 0.29 . . . . 99.99 110.316 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 8.3 p -87.5 151.02 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.257 -0.645 . . . . 99.99 109.257 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.8 mm -58.33 -33.19 46.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.051 0.453 . . . . 99.99 110.244 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -43.61 98.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.727 -0.67 . . . . 99.99 110.142 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -69.65 -34.64 74.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 99.99 109.987 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.64 -44.14 96.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.896 -0.593 . . . . 99.99 109.582 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.487 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 95.0 mttt -60.65 -42.05 96.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.922 -0.581 . . . . 99.99 110.361 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.82 92.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.79 -0.641 . . . . 99.99 110.316 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -65.17 -35.47 81.18 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.219 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.1 mt -69.41 -41.72 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.247 -0.649 . . . . 99.99 109.247 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -64.8 -28.36 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.061 -0.518 . . . . 99.99 110.477 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.93 -34.06 77.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.813 -0.631 . . . . 99.99 112.191 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -106.63 -40.32 5.57 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.667 0.988 . . . . 99.99 113.667 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.441 ' CD ' ' HZ2' ' B' ' 11' ' ' LYS . 37.2 mm-40 -89.16 -30.89 18.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.943 0.349 . . . . 99.99 111.943 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.67 -10.92 73.52 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.625 -0.797 . . . . 99.99 113.025 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mt -63.55 119.5 54.29 Favored Pre-proline 0 C--N 1.33 -0.258 0 C-N-CA 122.282 0.233 . . . . 99.99 111.089 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -65.04 139.84 63.06 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.779 2.319 . . . . 10.0 111.528 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.23 -24.18 40.57 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.351 2.7 . . . . 10.0 112.974 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.66 -26.53 67.84 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.295 0.569 . . . . 99.99 110.498 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -109.28 16.32 22.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 99.99 110.862 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -104.49 108.52 20.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.536 . . . . 99.99 111.601 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -110.13 91.84 3.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.167 -0.679 . . . . 99.99 109.167 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 38.3 mt -82.07 119.9 24.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.928 -0.578 . . . . 99.99 111.943 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -119.45 132.24 69.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 115.637 -0.711 . . . . 99.99 110.188 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -149.19 134.12 18.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 99.99 109.914 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.19 37.17 26.23 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.145 0.498 . . . . 99.99 111.255 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.3 58.41 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.469 -0.787 . . . . 99.99 113.453 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -122.81 159.32 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.694 0.283 . . . . 99.99 110.859 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -92.43 134.44 34.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.335 -0.393 . . . . 99.99 110.065 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 60.2 mt -81.5 108.32 14.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.445 -0.343 . . . . 99.99 110.624 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -73.93 134.13 43.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.199 -0.455 . . . . 99.99 110.276 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.487 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 3.5 m-20 -52.53 -41.49 63.54 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.284 0.846 . . . . 99.99 113.284 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.75 -4.59 71.48 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.992 -0.623 . . . . 99.99 113.788 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -96.7 157.05 16.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.862 0.363 . . . . 99.99 110.432 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 34.5 p -102.54 174.4 5.91 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.721 -0.474 . . . . 99.99 109.721 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.95 -35.5 81.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 99.99 110.831 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.0 m -68.6 -22.0 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.153 -0.476 . . . . 99.99 111.314 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.67 -36.4 82.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.96 0.409 . . . . 99.99 110.991 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -104.09 10.87 35.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.97 -0.559 . . . . 99.99 110.665 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 56.52 52.48 9.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.64 0.733 . . . . 99.99 110.498 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.6 mt -96.01 110.46 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.575 -0.739 . . . . 99.99 110.098 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.92 -167.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.265 -0.643 . . . . 99.99 109.265 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -82.12 161.66 22.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.613 -0.435 . . . . 99.99 110.587 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 74.95 4.9 4.33 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.683 0.614 . . . . 99.99 112.114 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -78.16 140.22 38.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.27 -0.423 . . . . 99.99 110.906 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -104.17 107.69 18.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.01 0.433 . . . . 99.99 110.741 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 45.3 mt -84.74 148.82 26.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.017 -0.538 . . . . 99.99 109.869 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -104.8 114.79 29.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.82 -0.437 . . . . 99.99 109.82 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -98.96 107.21 19.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.1 0.476 . . . . 99.99 111.471 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.3 t -97.76 135.42 32.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.855 -0.612 . . . . 99.99 109.372 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.27 134.09 34.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.748 0.308 . . . . 99.99 111.398 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -115.27 87.33 2.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 99.99 110.69 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.92 126.88 31.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 99.99 110.853 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -89.59 86.3 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.021 0.439 . . . . 99.99 111.63 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.85 176.4 22.3 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.913 -0.661 . . . . 99.99 112.584 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 117.9 -1.048 . . . . 99.99 109.352 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.707 0.289 . . . . 99.99 111.291 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -32.0 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 99.99 111.946 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 43.6 ttm -57.77 -45.15 86.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 99.99 110.96 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.08 -35.28 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.182 -0.463 . . . . 99.99 110.058 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.83 -44.29 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.581 . . . . 99.99 110.374 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.44 -35.71 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.189 0.519 . . . . 99.99 109.756 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -65.58 -50.5 64.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.619 -0.718 . . . . 99.99 109.904 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.29 -33.82 76.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.937 -0.574 . . . . 99.99 110.473 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.8 tp -60.65 -51.36 69.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.861 -0.609 . . . . 99.99 109.516 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.59 -37.89 87.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.749 -0.659 . . . . 99.99 110.435 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.69 -40.38 87.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 99.99 111.365 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 mt -87.58 -28.05 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.618 0.599 . . . . 99.99 112.618 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -77.12 -40.55 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.964 -0.294 . . . . 99.99 111.694 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -75.9 -20.15 58.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.149 0.5 . . . . 99.99 110.672 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -140.06 73.36 32.6 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.624 -0.716 . . . . 99.99 109.743 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.82 145.7 22.92 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.797 2.331 . . . . 10.0 113.237 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -79.29 152.86 24.01 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 123.153 2.569 . . . . 10.0 110.733 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -62.82 -21.21 72.89 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.954 2.436 . . . . 10.0 112.621 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -99.31 7.78 45.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.487 0.551 . . . . 99.99 112.487 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 tp -139.77 114.01 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.774 0.321 . . . . 99.99 111.041 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.96 164.33 25.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.346 -0.388 . . . . 99.99 111.407 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 64.95 29.64 12.24 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.923 -0.58 . . . . 99.99 111.296 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.24 102.93 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.944 -0.571 . . . . 99.99 110.74 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.67 144.94 49.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.036 -0.529 . . . . 99.99 110.451 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.69 161.74 28.28 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 99.99 109.533 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.42 152.63 29.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.097 0.475 . . . . 99.99 110.91 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.91 -19.52 51.64 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.125 -0.489 . . . . 99.99 111.829 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.62 -42.79 3.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.854 0.359 . . . . 99.99 111.361 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -106.31 154.53 20.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.224 -0.444 . . . . 99.99 111.022 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 p -103.67 -15.57 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.247 0.546 . . . . 99.99 110.753 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.4 mt -93.22 7.89 42.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.857 -0.61 . . . . 99.99 110.879 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.1 t -120.18 120.77 63.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.178 -0.464 . . . . 99.99 109.973 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -108.65 150.89 26.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.835 0.35 . . . . 99.99 111.075 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -133.69 124.31 26.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.45 -0.944 . . . . 99.99 108.45 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.39 164.5 35.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.969 0.414 . . . . 99.99 111.735 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.9 mt -106.84 124.65 49.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.706 -0.679 . . . . 99.99 110.347 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.3 tp -90.98 136.29 33.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.94 -0.573 . . . . 99.99 109.592 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mp -113.24 89.73 15.08 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.18 -0.464 . . . . 99.99 110.603 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.69 146.14 48.09 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.548 2.165 . . . . 10.0 110.637 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.98 -34.26 10.5 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 111.627 0.232 . . . . 99.99 111.627 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -59.73 119.82 44.01 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.037 -0.529 . . . . 99.99 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.56 146.46 96.92 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.561 2.174 . . . . 10.0 110.791 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -94.66 19.63 34.44 Favored 'Cis proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.666 -1.389 . . . . 10.0 112.717 0.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -70.14 -5.49 27.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.017 0.437 . . . . 99.99 111.115 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -79.0 -20.22 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.971 -0.559 . . . . 99.99 110.414 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.19 -47.47 76.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.695 0.628 . . . . 99.99 112.695 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt -124.07 -170.69 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.791 0.329 . . . . 99.99 111.347 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.23 164.86 19.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.365 -0.606 . . . . 99.99 109.365 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -130.03 141.84 50.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.654 0.264 . . . . 99.99 111.063 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -91.79 137.96 31.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.143 -0.481 . . . . 99.99 110.032 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -127.67 152.5 47.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.949 0.404 . . . . 99.99 111.057 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -117.84 117.94 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 99.99 110.631 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.5 mt -100.39 111.85 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.053 -0.721 . . . . 99.99 109.053 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.73 111.68 23.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.775 0.322 . . . . 99.99 111.383 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -88.13 127.13 58.53 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.332 -0.395 . . . . 99.99 110.376 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -77.93 152.55 28.48 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.424 2.083 . . . . 10.0 111.466 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.43 -20.11 67.09 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.799 2.333 . . . . 10.0 112.664 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.93 10.05 17.46 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.722 0.296 . . . . 99.99 111.507 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -60.1 142.4 89.49 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.917 -0.401 . . . . 99.99 109.917 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -96.67 22.07 27.05 Favored 'Cis proline' 0 N--CA 1.459 -0.52 0 C-N-CA 124.297 -1.126 . . . . 10.0 113.607 0.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -78.55 -18.13 55.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.294 0.568 . . . . 99.99 110.359 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.8 130.16 24.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.386 -0.825 . . . . 99.99 108.806 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.68 143.29 96.39 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.022 2.481 . . . . 10.0 112.985 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.91 140.3 38.05 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.581 2.187 . . . . 10.0 111.57 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mtm -93.17 101.81 14.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.212 -0.449 . . . . 99.99 110.655 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mt -106.68 129.57 59.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.036 -0.529 . . . . 99.99 110.241 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -140.19 162.45 35.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.197 -0.456 . . . . 99.99 109.799 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -86.94 137.61 32.22 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.146 -0.316 . . . . 99.99 110.146 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.17 2.81 43.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.309 -0.405 . . . . 99.99 110.943 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.85 161.59 25.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.169 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -81.77 90.46 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 99.99 111.092 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.7 tt -105.21 116.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.142 0.496 . . . . 99.99 110.961 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.2 87.5 6.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.08 -0.509 . . . . 99.99 110.613 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -126.21 136.82 29.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.926 -0.579 . . . . 99.99 109.547 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.1 -16.37 21.1 Favored 'Trans proline' 0 N--CA 1.477 0.536 0 C-N-CA 123.296 2.664 . . . . 10.0 113.826 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -115.34 21.37 14.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.646 0.26 . . . . 99.99 110.89 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.6 t -133.57 136.21 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 99.99 110.215 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.98 161.48 24.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.809 -0.632 . . . . 99.99 110.559 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -58.37 -30.63 66.93 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.703 0.631 . . . . 99.99 112.703 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -89.43 -0.68 57.66 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.012 0.434 . . . . 99.99 111.344 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.2 15.23 48.79 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.79 -0.719 . . . . 99.99 112.583 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -78.0 140.51 39.18 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.988 -0.745 . . . . 99.99 108.988 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.9 pt -134.13 170.47 19.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.866 0.365 . . . . 99.99 111.33 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 1.22 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 18.9 m -127.67 116.11 19.78 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.128 -1.064 . . . . 99.99 108.128 178.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.4 tp -131.2 109.83 15.21 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.752 0.31 . . . . 99.99 110.835 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.34 -30.49 63.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.553 2.836 . . . . 10.0 113.939 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 12.9 tt -68.02 -25.18 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.058 0.392 . . . . 99.99 112.058 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.6 pt -117.18 25.19 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 121.24 0.543 . . . . 99.99 110.706 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.9 p -74.84 159.85 31.4 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.73 -0.668 . . . . 99.99 109.354 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m -82.51 7.67 13.79 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.126 0.489 . . . . 99.99 110.286 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -42.78 3.44 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.984 -0.553 . . . . 99.99 111.132 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.2 32.78 5.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.364 -0.38 . . . . 99.99 112.006 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -77.53 136.39 38.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.223 0.535 . . . . 99.99 111.683 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -126.31 113.97 23.51 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.414 -0.958 . . . . 99.99 108.414 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.4 -23.14 53.7 Favored 'Trans proline' 0 N--CA 1.475 0.398 0 C-N-CA 123.391 2.727 . . . . 10.0 113.42 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.9 p -72.09 -21.64 61.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.279 -0.418 . . . . 99.99 111.495 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -73.94 132.2 42.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.357 -0.383 . . . . 99.99 111.003 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -102.23 166.44 10.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 99.99 110.119 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -57.22 -29.24 63.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.63 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.22 76.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.051 0.453 . . . . 99.99 110.764 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -78.6 -34.33 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 99.99 110.735 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.77 -48.6 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.997 -0.547 . . . . 99.99 110.614 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.47 -32.5 73.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.104 0.478 . . . . 99.99 110.941 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -66.64 -49.28 66.73 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.865 -0.607 . . . . 99.99 110.01 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.92 86.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.847 -0.615 . . . . 99.99 110.255 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.66 -47.02 87.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.846 -0.616 . . . . 99.99 109.786 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -37.94 75.51 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.891 -0.595 . . . . 99.99 110.573 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.48 -47.76 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.594 . . . . 99.99 110.669 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.19 -25.27 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.192 0.441 . . . . 99.99 112.192 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 63.8 t -74.02 -47.24 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.995 -0.372 . . . . 99.99 109.995 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -74.94 -36.38 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 99.99 110.664 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -114.94 91.74 27.74 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.058 -0.519 . . . . 99.99 109.994 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.33 123.64 11.78 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.608 2.205 . . . . 10.0 112.314 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -79.51 108.77 13.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 99.99 110.518 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 30.3 pt -83.62 -10.85 11.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.541 . . . . 99.99 111.659 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.0 mtp-105 -72.47 -51.34 20.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.214 0.53 . . . . 99.99 109.605 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -125.41 79.97 66.1 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.572 -0.74 . . . . 99.99 109.552 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -93.7 159.28 2.34 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.815 2.343 . . . . 10.0 112.099 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.74 -29.27 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.499 0.666 . . . . 99.99 109.286 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -120.45 105.2 10.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.408 -0.815 . . . . 99.99 110.193 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -33.07 75.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.276 -0.42 . . . . 99.99 110.384 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -63.35 -47.35 82.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.511 . . . . 99.99 111.406 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.78 -39.39 66.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.213 -0.448 . . . . 99.99 111.798 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.5 94.01 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.056 0.455 . . . . 99.99 110.505 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.66 -51.96 59.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.705 -0.68 . . . . 99.99 110.118 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 48.5 tp -57.58 -39.94 77.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 99.99 111.3 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 tp -58.87 -39.5 81.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 99.99 111.316 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m -84.13 -33.61 24.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.011 -0.541 . . . . 99.99 111.562 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -71.76 -46.89 57.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.409 -0.359 . . . . 99.99 111.866 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -147.59 95.34 4.29 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.431 -0.349 . . . . 99.99 110.39 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.83 -36.94 99.06 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.998 2.465 . . . . 10.0 112.197 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -68.68 -44.69 73.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 99.99 111.089 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.98 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.076 0.465 . . . . 99.99 110.154 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -65.81 -41.65 91.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.669 -0.696 . . . . 99.99 109.843 179.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -59.78 -44.44 93.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.838 -0.619 . . . . 99.99 110.752 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.01 -41.47 90.95 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.737 0.303 . . . . 99.99 110.807 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -61.08 -49.95 75.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 99.99 109.832 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.64 75.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.668 -0.696 . . . . 99.99 111.203 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.05 -43.94 95.03 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.931 0.396 . . . . 99.99 109.983 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.51 -48.55 81.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.701 -0.681 . . . . 99.99 109.93 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -42.75 99.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.017 -0.538 . . . . 99.99 111.741 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.9 m -62.97 -39.06 93.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 99.99 111.585 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 75.0 mt -89.02 3.93 50.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.132 0.492 . . . . 99.99 111.353 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -110.67 -47.95 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.208 -0.451 . . . . 99.99 111.486 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -123.13 29.58 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.68 0.276 . . . . 99.99 111.28 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -103.8 151.97 17.74 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.554 -0.832 . . . . 99.99 112.18 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.2 t -87.14 148.97 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.274 -0.639 . . . . 99.99 109.274 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -55.79 133.44 51.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.711 0.291 . . . . 99.99 110.946 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -68.04 118.29 57.15 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 99.99 110.087 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.853 2.369 . . . . 10.0 111.581 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.829 0.347 . . . . 99.99 110.575 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -86.61 130.09 34.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.32 -0.4 . . . . 99.99 110.955 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.6 pt -127.25 172.52 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.527 -0.546 . . . . 99.99 109.527 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -123.02 134.6 54.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.903 0.382 . . . . 99.99 111.009 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 32.1 t -117.66 110.57 31.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.436 -0.579 . . . . 99.99 109.436 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -100.99 130.79 47.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.093 0.473 . . . . 99.99 111.261 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -91.95 171.47 9.1 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.66 -0.7 . . . . 99.99 110.047 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 48.1 mt -72.49 -13.68 61.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.919 0.39 . . . . 99.99 111.083 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -0.37 57.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.988 -0.551 . . . . 99.99 111.389 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.4 -17.77 58.31 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.92 -0.657 . . . . 99.99 113.35 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.475 ' HZ2' ' CD ' ' B' ' 34' ' ' GLU . 81.9 tttt -67.91 113.8 5.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.778 0.323 . . . . 99.99 110.455 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -105.29 114.66 28.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.151 -0.477 . . . . 99.99 109.717 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 27.2 pt -103.52 144.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.064 -0.516 . . . . 99.99 111.048 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.5 137.01 32.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.795 -0.639 . . . . 99.99 109.517 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 tp -133.67 136.98 45.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.812 0.339 . . . . 99.99 110.771 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -109.58 113.68 26.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.36 0.6 . . . . 99.99 110.378 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.7 m -132.92 -177.29 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.61 -0.723 . . . . 99.99 110.29 -178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -131.35 160.64 66.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.733 -0.469 . . . . 99.99 109.733 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.37 -25.82 67.67 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.804 2.336 . . . . 10.0 112.795 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.93 9.96 33.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.453 . . . . 99.99 111.654 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -83.82 138.13 33.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.246 -0.279 . . . . 99.99 110.246 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.43 150.56 22.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.285 -0.416 . . . . 99.99 110.57 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.1 mm -56.69 -38.11 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 99.99 110.88 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -60.42 -42.31 95.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 99.99 110.468 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.89 -34.93 76.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 99.99 109.924 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.7 t -60.76 -43.24 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.176 -0.676 . . . . 99.99 109.176 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.504 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 93.2 mttt -60.68 -42.67 97.58 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.532 -0.758 . . . . 99.99 110.105 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.35 84.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.803 -0.635 . . . . 99.99 110.782 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -64.59 -38.43 90.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 99.99 110.579 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.71 -36.47 70.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 99.99 110.039 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -65.56 -25.84 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 99.99 110.783 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.98 -51.49 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.083 -0.508 . . . . 99.99 111.645 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -78.77 -44.23 23.76 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.74 1.015 . . . . 99.99 113.74 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.475 ' CD ' ' HZ2' ' B' ' 11' ' ' LYS . 40.4 mm-40 -88.99 -53.1 4.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.774 0.321 . . . . 99.99 111.695 -179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.36 -9.26 20.15 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.468 -0.873 . . . . 99.99 112.535 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -68.29 123.27 87.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.471 -0.196 . . . . 99.99 110.471 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.37 141.55 92.83 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.947 2.431 . . . . 10.0 112.141 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.53 -25.89 61.04 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.577 2.851 . . . . 10.0 113.153 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -67.99 -33.28 74.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.394 0.616 . . . . 99.99 110.483 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -95.89 5.5 51.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.704 -0.68 . . . . 99.99 110.796 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -95.98 106.14 18.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.976 -0.556 . . . . 99.99 111.58 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -107.03 93.91 4.81 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.509 -0.552 . . . . 99.99 109.509 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.7 mt -84.33 121.53 27.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 99.99 112.176 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mm -116.85 131.94 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 99.99 109.653 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -141.05 125.89 18.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.474 -0.33 . . . . 99.99 110.74 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 35.31 25.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.849 -0.614 . . . . 99.99 111.487 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.14 3.12 68.41 Favored Glycine 0 CA--C 1.519 0.289 0 CA-C-N 115.653 -0.703 . . . . 99.99 112.864 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -110.93 145.9 37.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.767 0.318 . . . . 99.99 110.619 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -89.9 125.71 35.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.203 -0.453 . . . . 99.99 109.916 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 mt -75.2 126.31 30.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.281 -0.418 . . . . 99.99 111.273 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -85.97 134.0 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 99.99 110.175 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.504 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 1.0 OUTLIER -50.79 -43.17 58.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.547 0.573 . . . . 99.99 112.547 -179.277 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.56 24.04 11.18 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.712 -0.756 . . . . 99.99 113.804 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -114.15 162.99 15.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.021 0.41 . . . . 99.99 109.899 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.82 160.55 15.16 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.837 -0.431 . . . . 99.99 109.837 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 65.0 mt -63.34 -22.13 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 99.99 110.649 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -31.27 68.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.74 -0.664 . . . . 99.99 111.243 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -60.58 -38.69 85.43 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.937 0.399 . . . . 99.99 111.454 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -97.49 5.87 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.189 -0.46 . . . . 99.99 110.986 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 56.58 50.38 12.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.475 -0.784 . . . . 99.99 110.784 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.7 mt -84.23 111.7 20.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.653 -0.703 . . . . 99.99 110.26 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -92.15 -168.66 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.701 -0.681 . . . . 99.99 110.181 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -77.72 155.4 31.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.231 -0.441 . . . . 99.99 110.998 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 65.23 17.12 10.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.563 0.949 . . . . 99.99 113.563 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -77.27 150.82 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.353 -0.61 . . . . 99.99 109.353 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -113.04 112.1 23.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.244 0.545 . . . . 99.99 111.993 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.9 mt -93.01 143.62 26.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.688 -0.687 . . . . 99.99 109.518 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -100.33 123.28 44.36 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.901 -0.407 . . . . 99.99 109.901 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 tp -100.67 106.62 18.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.025 0.441 . . . . 99.99 111.747 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 50.4 t -94.27 126.92 46.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.212 -0.662 . . . . 99.99 109.212 178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 tp -77.25 111.34 12.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 99.99 110.835 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 -88.79 95.43 10.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.399 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 mp -70.98 117.32 12.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.266 -0.425 . . . . 99.99 110.922 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -95.65 61.15 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.134 -0.484 . . . . 99.99 110.617 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.77 152.15 5.62 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.898 -0.592 . . . . 99.99 112.156 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 1.22 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.91 -1.043 . . . . 99.99 109.402 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.78 0.324 . . . . 99.99 111.232 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -61.19 -30.19 70.27 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 112.054 0.39 . . . . 99.99 112.054 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.5 mtt -57.1 -40.23 76.6 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.855 0.359 . . . . 99.99 110.873 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -80.01 -36.52 35.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.788 -0.449 . . . . 99.99 109.788 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.2 t -56.19 -51.22 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.658 -0.701 . . . . 99.99 110.803 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.11 -33.28 57.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.949 0.404 . . . . 99.99 110.509 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -68.97 -50.24 50.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 99.99 110.186 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.79 -39.31 88.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.14 -0.482 . . . . 99.99 110.56 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.6 tp -61.85 -46.92 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 99.99 109.528 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -61.56 -39.28 90.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.438 -0.801 . . . . 99.99 110.228 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -61.11 -48.31 82.25 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 99.99 110.675 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.6 mt -71.17 -27.21 63.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.619 -0.719 . . . . 99.99 112.032 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -79.67 -28.7 40.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 99.99 111.339 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -75.29 -42.41 54.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.201 0.525 . . . . 99.99 109.741 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -127.81 80.23 72.36 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.545 -0.752 . . . . 99.99 109.053 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.62 140.6 29.84 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.76 2.306 . . . . 10.0 113.196 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -72.54 147.58 46.27 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.806 2.338 . . . . 10.0 110.396 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.56 -34.73 90.88 Favored 'Trans proline' 0 N--CA 1.473 0.299 0 C-N-CA 122.746 2.297 . . . . 10.0 112.913 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -88.99 -1.08 57.94 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.887 0.699 . . . . 99.99 112.887 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.4 tp -126.21 110.64 13.67 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.766 -0.373 . . . . 99.99 110.77 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -125.95 156.96 38.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.484 -0.326 . . . . 99.99 111.715 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.13 32.6 12.55 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.83 -0.623 . . . . 99.99 112.675 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.4 tp -73.57 111.42 8.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.025 0.44 . . . . 99.99 110.917 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.12 154.84 47.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.923 -0.581 . . . . 99.99 110.692 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.62 154.44 28.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.253 -0.43 . . . . 99.99 109.976 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.21 143.99 57.47 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.935 -0.394 . . . . 99.99 109.935 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.62 -30.94 71.73 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.564 0.579 . . . . 99.99 112.564 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.65 -49.41 4.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.01 0.374 . . . . 99.99 112.01 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -115.43 114.04 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.884 0.373 . . . . 99.99 111.896 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.23 -17.07 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.101 -0.499 . . . . 99.99 111.86 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.75 -2.09 41.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 99.99 111.74 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.5 t -114.85 121.44 66.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 110.0 -0.37 . . . . 99.99 110.0 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 48.0 m0 -103.93 142.55 34.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.912 0.387 . . . . 99.99 110.782 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -122.96 124.47 43.26 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.003 -0.74 . . . . 99.99 109.003 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.65 161.57 42.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.812 0.339 . . . . 99.99 111.413 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.89 123.88 49.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.822 -0.626 . . . . 99.99 110.215 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.4 tp -93.06 130.63 38.6 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.364 -0.606 . . . . 99.99 109.364 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mp -118.2 92.47 42.84 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.34 -0.391 . . . . 99.99 111.309 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.18 146.91 47.03 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.488 2.125 . . . . 10.0 110.362 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -95.3 -21.38 18.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.118 0.485 . . . . 99.99 110.929 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -78.35 123.9 85.72 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.003 -0.544 . . . . 99.99 110.944 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.62 154.42 65.22 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.617 2.212 . . . . 10.0 111.282 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -89.66 7.99 66.78 Favored 'Cis proline' 0 N--CA 1.463 -0.298 0 C-N-CA 123.72 -1.367 . . . . 10.0 112.619 0.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -70.46 -4.61 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.957 0.408 . . . . 99.99 111.058 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.12 -6.7 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.392 0.516 . . . . 99.99 112.392 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.4 mt -84.11 -33.17 24.38 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.183 0.438 . . . . 99.99 112.183 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -131.35 -167.22 1.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.545 -0.298 . . . . 99.99 110.679 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.98 160.22 35.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.705 -0.48 . . . . 99.99 109.705 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -125.26 141.69 51.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.704 0.288 . . . . 99.99 110.943 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -93.62 128.0 39.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.005 0.431 . . . . 99.99 110.856 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -111.26 146.54 36.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.817 -0.629 . . . . 99.99 110.98 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.95 109.94 18.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 99.99 110.512 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.4 mt -94.47 119.45 42.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.025 -0.534 . . . . 99.99 109.641 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.14 108.9 17.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.698 0.285 . . . . 99.99 111.566 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -84.42 129.2 58.63 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.394 -0.366 . . . . 99.99 110.33 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.85 156.34 20.67 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.491 2.127 . . . . 10.0 111.447 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.78 -12.94 37.98 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.529 2.153 . . . . 10.0 112.188 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.31 14.38 24.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.339 -0.391 . . . . 99.99 111.425 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -65.48 145.3 99.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.563 -0.532 . . . . 99.99 109.563 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -94.21 15.49 42.96 Favored 'Cis proline' 0 C--N 1.345 0.378 0 C-N-CA 124.346 -1.106 . . . . 10.0 113.177 0.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -70.01 -32.74 71.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.308 -0.627 . . . . 99.99 109.308 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 132.36 20.95 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.16 -0.927 . . . . 99.99 109.368 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.25 141.81 58.28 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.793 2.329 . . . . 10.0 112.871 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -71.92 137.41 29.38 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.54 2.16 . . . . 10.0 111.514 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.7 mtm -88.72 106.69 18.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.915 0.388 . . . . 99.99 111.202 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.2 mt -104.24 126.89 58.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.062 -0.517 . . . . 99.99 109.825 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -136.36 164.86 27.13 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.992 -0.373 . . . . 99.99 109.992 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -94.56 136.22 35.11 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.148 -0.315 . . . . 99.99 110.148 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 m -89.66 -38.99 13.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.642 0.734 . . . . 99.99 109.454 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.69 153.89 23.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.387 -0.824 . . . . 99.99 109.94 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -82.56 106.13 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.967 0.413 . . . . 99.99 111.573 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.3 tt -109.75 120.85 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.934 -0.575 . . . . 99.99 110.857 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.03 83.47 5.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.108 -0.496 . . . . 99.99 110.458 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -126.32 137.38 30.16 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.859 -0.61 . . . . 99.99 109.413 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.24 -9.43 10.48 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.256 2.638 . . . . 10.0 113.907 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -119.47 19.73 12.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.719 0.295 . . . . 99.99 110.764 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.4 t -134.6 136.32 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 99.99 109.791 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -87.26 160.61 18.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.366 -0.379 . . . . 99.99 110.28 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -62.53 -21.01 65.22 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.332 0.864 . . . . 99.99 113.332 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -89.66 0.15 57.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.606 . . . . 99.99 110.254 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.82 15.6 57.74 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.339 -0.704 . . . . 99.99 111.339 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -81.23 143.47 32.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.728 0.299 . . . . 99.99 110.283 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.1 pt -141.11 179.46 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.345 -0.389 . . . . 99.99 110.428 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 16.2 m -134.06 113.05 11.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.772 -0.649 . . . . 99.99 109.486 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -118.38 107.44 43.19 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.49 -0.323 . . . . 99.99 110.834 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.47 -18.34 45.93 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 123.127 2.552 . . . . 10.0 112.615 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.9 tt -75.27 -25.4 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.565 -0.289 . . . . 99.99 111.5 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.6 pt -127.15 28.27 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.366 0.603 . . . . 99.99 110.141 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.4 p -84.07 161.85 20.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.481 -0.781 . . . . 99.99 110.646 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -19.39 63.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.027 0.441 . . . . 99.99 110.344 179.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.47 -34.23 21.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.924 -0.58 . . . . 99.99 110.782 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -140.51 111.84 7.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 99.99 111.263 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -155.78 137.99 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.905 -0.589 . . . . 99.99 109.721 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -130.92 120.81 18.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.634 -0.506 . . . . 99.99 109.634 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.82 -17.99 53.72 Favored 'Trans proline' 0 N--CA 1.476 0.45 0 C-N-CA 123.131 2.554 . . . . 10.0 112.699 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.98 -9.92 59.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 99.99 111.446 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.2 m -85.24 136.08 33.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.047 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -97.21 160.26 14.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.408 -0.36 . . . . 99.99 110.658 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.2 m -58.86 -28.35 66.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 99.99 111.371 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.28 -32.29 69.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.99 -0.55 . . . . 99.99 110.714 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -84.37 -32.57 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 99.99 110.537 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.51 -45.27 93.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 99.99 109.859 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.84 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.709 -0.678 . . . . 99.99 110.457 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.33 -48.36 67.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.802 -0.636 . . . . 99.99 109.597 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.56 82.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.75 -0.659 . . . . 99.99 110.046 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.6 tp -61.87 -47.42 85.1 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.807 -0.633 . . . . 99.99 110.021 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -59.8 -37.59 79.56 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.894 -0.594 . . . . 99.99 110.929 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.02 -45.67 96.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.496 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.14 -27.19 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 99.99 111.712 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.2 t -74.67 -50.27 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.725 0.298 . . . . 99.99 110.828 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -71.92 -33.06 67.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 99.99 111.33 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -114.72 93.86 34.99 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 99.99 110.029 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.6 126.43 16.8 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 122.847 2.365 . . . . 10.0 112.562 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -84.64 102.76 13.18 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.035 -0.728 . . . . 99.99 109.035 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 pt -86.1 -8.46 11.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.888 0.375 . . . . 99.99 111.206 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.2 -43.17 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.669 -0.863 . . . . 99.99 108.669 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -126.3 74.55 73.15 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.03 -0.987 . . . . 99.99 109.418 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -97.56 171.04 0.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.761 2.308 . . . . 10.0 112.747 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.8 mp -101.8 -28.78 12.24 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.975 -0.75 . . . . 99.99 108.975 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -120.26 95.62 4.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.335 -0.848 . . . . 99.99 109.51 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -58.08 -31.37 67.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.854 -0.612 . . . . 99.99 111.782 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -65.5 -48.79 71.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 99.99 111.069 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.4 mp -70.91 -31.22 67.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 99.99 110.616 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.6 -51.98 50.4 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.087 -0.506 . . . . 99.99 111.435 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.09 -35.68 81.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.699 0.285 . . . . 99.99 110.85 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.29 -44.02 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 99.99 110.748 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.7 tp -66.28 -29.24 69.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 99.99 111.018 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 m -80.65 -34.18 35.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.096 0.474 . . . . 99.99 110.373 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -75.71 -65.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 99.99 111.081 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -131.6 98.43 18.09 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.087 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.34 -42.27 70.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 123.159 2.573 . . . . 10.0 112.958 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -61.78 -40.15 94.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.583 -0.281 . . . . 99.99 111.728 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.21 -46.53 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 99.99 110.144 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -69.29 -40.16 77.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.756 -0.656 . . . . 99.99 109.849 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -55.48 -48.75 74.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.524 -0.762 . . . . 99.99 111.028 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -66.75 -43.85 83.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 99.99 110.835 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -59.14 -44.56 92.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 99.99 110.613 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.67 -33.21 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.045 -0.525 . . . . 99.99 111.106 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -64.3 -44.74 90.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.807 0.337 . . . . 99.99 110.3 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.15 -40.15 80.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.792 -0.64 . . . . 99.99 109.802 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.6 -44.52 70.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.476 -0.784 . . . . 99.99 110.668 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.4 m -63.5 -38.6 91.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 99.99 111.633 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.08 -13.09 60.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.431 0.53 . . . . 99.99 112.431 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -108.36 -45.81 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.71 0.633 . . . . 99.99 112.71 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -107.14 18.48 21.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.032 0.382 . . . . 99.99 112.032 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -105.63 151.37 17.1 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.451 -0.881 . . . . 99.99 112.733 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.6 t -85.32 154.78 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.928 -0.767 . . . . 99.99 108.928 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.43 149.28 39.0 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.242 0.46 . . . . 99.99 112.242 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -84.31 115.91 62.52 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.58 -0.736 . . . . 99.99 111.783 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo . . . . . 0 C--O 1.251 1.165 0 C-N-CA 123.231 2.621 . . . . 10.0 111.531 179.062 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.72 0.295 . . . . 99.99 110.323 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -95.89 130.82 42.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.059 0.457 . . . . 99.99 111.481 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 pt -124.48 161.22 28.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.811 -0.632 . . . . 99.99 109.734 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -111.32 131.43 55.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.588 0.232 . . . . 99.99 110.639 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -114.69 115.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.441 -0.577 . . . . 99.99 109.441 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -103.5 123.43 46.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.365 -0.38 . . . . 99.99 110.935 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.8 p -92.95 168.66 11.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.072 -0.513 . . . . 99.99 110.066 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.32 -16.59 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.048 0.451 . . . . 99.99 111.435 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.67 -1.63 57.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.87 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.08 -15.7 58.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.995 -0.621 . . . . 99.99 112.01 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -64.24 111.48 2.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.932 0.396 . . . . 99.99 109.948 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -102.63 118.76 37.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.789 -0.641 . . . . 99.99 109.795 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 31.1 pt -109.47 160.08 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.361 -0.381 . . . . 99.99 110.826 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.8 144.6 33.21 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.362 -0.607 . . . . 99.99 109.362 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 tp -137.24 139.16 40.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.618 0.247 . . . . 99.99 110.702 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -106.61 98.49 8.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.249 -0.432 . . . . 99.99 110.534 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 m -132.29 176.03 9.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.174 -0.466 . . . . 99.99 110.132 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -118.33 158.26 47.12 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.999 -0.371 . . . . 99.99 109.999 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -54.92 -31.36 73.19 Favored 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 122.658 2.239 . . . . 10.0 112.934 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.55 1.01 23.92 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.282 0.475 . . . . 99.99 112.282 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.37 137.7 41.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.606 0.241 . . . . 99.99 110.664 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.6 148.56 27.09 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.463 -0.569 . . . . 99.99 109.463 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.8 mm -55.72 -36.45 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.665 0.269 . . . . 99.99 111.259 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -37.61 88.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.546 -0.297 . . . . 99.99 110.941 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -69.56 -37.96 77.22 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.409 -0.589 . . . . 99.99 109.409 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.89 -44.16 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.569 -0.741 . . . . 99.99 109.485 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.89 -43.11 90.92 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.858 -0.61 . . . . 99.99 110.661 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.56 90.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 99.99 110.955 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -68.18 -32.13 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 99.99 111.068 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 98.9 mt -69.18 -40.07 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.127 -0.694 . . . . 99.99 109.127 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -67.59 -25.28 65.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.301 0.572 . . . . 99.99 109.97 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.46 -39.35 94.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.668 -0.697 . . . . 99.99 111.591 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -99.84 -43.72 6.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.916 1.08 . . . . 99.99 113.916 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -89.94 -26.23 20.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.838 0.681 . . . . 99.99 112.838 -178.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 6.83 85.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.649 -0.786 . . . . 99.99 113.179 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.8 mt -76.16 120.7 82.81 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 122.722 -0.281 . . . . 99.99 110.617 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -59.05 134.54 60.43 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.989 2.46 . . . . 10.0 112.207 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.38 -18.22 59.68 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.089 2.526 . . . . 10.0 112.619 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -19.25 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.996 0.427 . . . . 99.99 111.377 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -120.48 15.57 12.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.212 0.529 . . . . 99.99 110.676 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -93.56 111.4 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.442 -0.799 . . . . 99.99 110.903 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -110.1 95.82 5.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.922 0.391 . . . . 99.99 110.053 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 35.4 mt -83.98 121.83 27.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.991 -0.549 . . . . 99.99 111.691 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.3 mm -117.11 131.7 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.87 -0.605 . . . . 99.99 110.495 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -136.12 120.26 17.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.401 -0.363 . . . . 99.99 110.103 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.95 27.11 14.25 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.444 0.465 . . . . 99.99 111.714 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.13 -5.3 85.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.152 -0.547 . . . . 99.99 112.634 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -97.75 145.26 26.54 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.793 -0.24 . . . . 99.99 110.369 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -86.29 125.67 33.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.586 -0.524 . . . . 99.99 109.586 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 44.5 mt -77.0 110.54 11.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.008 0.432 . . . . 99.99 111.264 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.04 130.38 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.83 -0.623 . . . . 99.99 110.621 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.45 -37.0 35.95 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.376 0.88 . . . . 99.99 113.376 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.07 11.98 51.99 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.087 -0.577 . . . . 99.99 114.423 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -115.9 161.74 18.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.265 0.532 . . . . 99.99 110.718 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -102.85 171.72 7.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.249 -0.432 . . . . 99.99 109.973 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 77.5 mt -66.77 -31.03 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.884 0.374 . . . . 99.99 110.135 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -30.18 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.793 -0.64 . . . . 99.99 111.128 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -64.4 -39.0 93.01 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.993 0.425 . . . . 99.99 111.177 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -92.7 2.94 56.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.961 -0.563 . . . . 99.99 111.742 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 60.87 49.96 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.372 0.606 . . . . 99.99 110.793 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.2 mt -93.52 121.46 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.625 -0.716 . . . . 99.99 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -104.96 177.05 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.907 -0.588 . . . . 99.99 109.6 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -67.51 160.08 28.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.394 -0.225 . . . . 99.99 110.394 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.36 11.01 7.69 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.114 0.783 . . . . 99.99 113.114 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.0 m -83.74 143.51 29.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.591 -0.522 . . . . 99.99 109.591 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -101.63 115.02 29.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.983 0.421 . . . . 99.99 111.973 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.9 mt -93.05 147.3 22.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.712 -0.847 . . . . 99.99 108.712 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -103.32 122.19 44.29 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 121.031 -0.268 . . . . 99.99 110.336 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 44.2 tp -101.73 99.73 10.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.061 0.458 . . . . 99.99 110.729 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 38.5 t -91.38 124.61 43.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.752 -0.658 . . . . 99.99 109.869 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 mp -82.21 116.73 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.397 . . . . 99.99 110.372 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -106.14 86.86 2.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.052 -0.522 . . . . 99.99 110.427 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 68.7 mt -55.72 136.42 50.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.006 0.432 . . . . 99.99 111.545 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -102.19 14.38 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.934 -0.575 . . . . 99.99 111.765 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.41 147.14 15.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.079 -1.058 . . . . 99.99 113.246 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.689 -1.148 . . . . 99.99 108.468 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.74 0.305 . . . . 99.99 111.264 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -55.02 -36.14 65.16 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.651 0.611 . . . . 99.99 112.651 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 ttm -53.49 -46.4 70.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.473 -0.331 . . . . 99.99 111.588 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -74.53 -32.41 62.47 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.637 -0.425 . . . . 99.99 110.957 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.46 -40.77 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.917 -0.401 . . . . 99.99 109.917 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.82 -39.69 86.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 109.641 -0.503 . . . . 99.99 109.641 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -64.7 -48.46 74.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.904 -0.589 . . . . 99.99 110.33 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.35 -41.07 92.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.842 -0.617 . . . . 99.99 110.063 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.94 -52.58 63.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.684 -0.689 . . . . 99.99 110.229 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -58.94 -39.56 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.901 -0.591 . . . . 99.99 111.404 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.57 -47.87 82.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.751 -0.658 . . . . 99.99 110.524 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.6 mt -80.38 -16.82 53.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.754 -0.657 . . . . 99.99 112.152 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -71.51 -45.96 60.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.009 0.433 . . . . 99.99 110.164 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -82.97 -26.36 31.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.868 -0.605 . . . . 99.99 111.328 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -129.47 79.51 73.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 99.99 110.861 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -89.93 132.76 1.99 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.353 2.702 . . . . 10.0 112.343 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -66.84 145.46 74.84 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.523 2.149 . . . . 10.0 111.145 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.6 -10.18 10.87 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.364 2.709 . . . . 10.0 113.959 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -105.31 5.59 32.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.864 0.32 . . . . 99.99 111.864 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 tp -140.32 112.02 7.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.022 0.439 . . . . 99.99 111.239 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -125.4 172.47 9.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.136 -0.484 . . . . 99.99 110.591 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 m120 61.63 22.05 12.62 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.638 0.586 . . . . 99.99 111.429 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.89 108.76 1.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.921 -0.582 . . . . 99.99 110.814 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.53 157.74 45.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.106 -0.497 . . . . 99.99 110.214 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.87 164.45 19.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.477 -0.329 . . . . 99.99 110.123 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -71.46 146.08 48.84 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.596 -0.52 . . . . 99.99 109.596 179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.65 -28.09 67.42 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.616 0.598 . . . . 99.99 112.616 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.06 -11.67 14.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.28 0.844 . . . . 99.99 113.28 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -146.21 130.42 17.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.964 0.411 . . . . 99.99 111.441 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.97 -14.02 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.164 0.507 . . . . 99.99 110.25 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.3 mt -87.38 11.68 13.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.93 -0.577 . . . . 99.99 111.44 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.4 t -130.72 124.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.371 -0.603 . . . . 99.99 109.371 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -110.04 150.61 28.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.84 0.352 . . . . 99.99 111.37 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -131.81 123.59 27.9 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.365 -0.976 . . . . 99.99 108.365 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.53 162.03 41.41 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.882 0.372 . . . . 99.99 111.635 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 mt -107.12 121.47 44.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.68 -0.691 . . . . 99.99 109.983 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.6 tp -88.47 131.78 34.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.902 -0.59 . . . . 99.99 109.793 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mp -114.15 90.16 19.23 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.084 -0.507 . . . . 99.99 110.95 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.95 158.34 58.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.348 2.032 . . . . 10.0 110.373 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -109.54 -30.47 7.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.681 0.277 . . . . 99.99 111.414 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -61.58 126.61 87.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 99.99 110.495 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.98 143.49 60.5 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.596 2.198 . . . . 10.0 111.249 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -98.99 24.05 20.63 Favored 'Cis proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.903 -1.29 . . . . 10.0 112.188 0.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -67.23 -18.21 65.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 99.99 111.421 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -82.54 4.84 22.89 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.39 0.515 . . . . 99.99 112.39 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.34 -31.56 54.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 99.99 110.165 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -139.98 -167.25 2.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 99.99 110.233 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.47 159.04 37.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.744 -0.465 . . . . 99.99 109.744 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -124.7 139.35 53.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.691 0.281 . . . . 99.99 110.911 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -93.68 135.69 34.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.487 -0.324 . . . . 99.99 110.602 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 pp -122.87 152.73 40.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.045 -0.525 . . . . 99.99 111.151 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -118.01 114.66 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.979 -0.555 . . . . 99.99 110.217 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.7 mt -96.94 119.89 45.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.012 -0.54 . . . . 99.99 109.909 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -110.17 109.24 19.66 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.213 -0.449 . . . . 99.99 110.724 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -84.31 126.12 70.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.196 -0.456 . . . . 99.99 110.777 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.96 147.45 68.05 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.282 1.988 . . . . 10.0 111.101 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.47 -22.08 70.48 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.836 2.357 . . . . 10.0 112.194 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -96.29 15.45 21.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.644 -0.253 . . . . 99.99 111.472 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -56.71 139.82 76.01 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 109.779 -0.452 . . . . 99.99 109.779 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -97.16 24.06 23.29 Favored 'Cis proline' 0 N--CA 1.459 -0.518 0 C-N-CA 124.306 -1.122 . . . . 10.0 113.629 0.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -71.81 -19.3 62.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.31 0.576 . . . . 99.99 109.823 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -119.69 147.38 43.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.14 -0.937 . . . . 99.99 108.986 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.08 135.67 23.4 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.381 2.054 . . . . 10.0 112.864 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -71.99 123.57 9.39 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.541 2.16 . . . . 10.0 110.891 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 75.9 mtm -81.3 117.5 21.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.036 0.446 . . . . 99.99 111.193 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.2 mt -116.63 126.15 73.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.817 -0.629 . . . . 99.99 109.6 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -135.98 161.64 35.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.997 -0.371 . . . . 99.99 109.997 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -88.41 141.1 28.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.774 0.321 . . . . 99.99 110.412 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.48 -23.21 17.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.453 0.644 . . . . 99.99 109.61 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.74 152.16 22.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.373 -0.831 . . . . 99.99 109.895 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -78.48 118.04 20.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 99.99 111.568 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.1 tt -123.39 121.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.882 -0.599 . . . . 99.99 110.588 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.44 84.56 3.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.119 0.485 . . . . 99.99 111.048 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -128.94 137.58 31.31 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.666 -0.697 . . . . 99.99 109.221 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.6 -7.04 8.15 Favored 'Trans proline' 0 N--CA 1.478 0.58 0 C-N-CA 123.026 2.484 . . . . 10.0 113.835 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -119.84 20.55 12.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.735 0.302 . . . . 99.99 110.709 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.7 t -132.85 141.12 45.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.267 -0.424 . . . . 99.99 110.274 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.58 164.12 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.172 -0.467 . . . . 99.99 111.111 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -55.92 -35.58 66.76 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.953 0.723 . . . . 99.99 112.953 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.42 -3.79 58.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.863 0.32 . . . . 99.99 111.863 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.15 13.73 44.67 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.683 -0.77 . . . . 99.99 112.795 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.65 146.07 34.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.807 0.303 . . . . 99.99 110.366 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.49 173.48 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.407 -0.361 . . . . 99.99 110.965 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.84 ' SG ' ' O ' ' B' ' 75' ' ' GLY . 2.3 m -133.6 113.22 12.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.02 -0.537 . . . . 99.99 109.83 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.94 115.44 33.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.337 -0.392 . . . . 99.99 111.062 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.88 -20.49 52.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.0 2.467 . . . . 10.0 112.243 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.3 tt -71.59 -30.83 40.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.468 -0.333 . . . . 99.99 111.484 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.5 pt -113.22 14.03 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 99.99 111.005 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.9 p -71.61 144.91 49.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.028 -0.533 . . . . 99.99 110.391 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -22.62 64.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.01 0.433 . . . . 99.99 111.136 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -88.95 4.49 47.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.03 -0.532 . . . . 99.99 111.807 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -165.8 47.21 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.521 0.563 . . . . 99.99 112.521 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -100.4 132.29 45.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.867 0.365 . . . . 99.99 111.086 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -123.4 123.24 26.55 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.112 -0.699 . . . . 99.99 109.112 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.51 -18.38 59.43 Favored 'Trans proline' 0 N--CA 1.474 0.375 0 C-N-CA 123.22 2.614 . . . . 10.0 113.032 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 -16.98 59.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.002 0.43 . . . . 99.99 111.617 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.42 135.52 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 99.99 110.755 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -89.57 153.64 20.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.941 -0.392 . . . . 99.99 109.941 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.3 m -58.37 -29.64 66.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.089 0.403 . . . . 99.99 112.089 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 p -62.3 -35.88 80.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.782 0.325 . . . . 99.99 111.122 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -70.21 -35.51 73.93 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.092 0.473 . . . . 99.99 110.185 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.3 t -64.9 -46.09 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.705 -0.68 . . . . 99.99 109.56 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.58 -33.22 75.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 99.99 110.197 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -65.09 -49.08 71.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.85 -0.613 . . . . 99.99 109.524 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.31 84.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.753 -0.658 . . . . 99.99 110.236 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.11 -48.91 79.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 99.99 109.766 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -58.59 -40.61 83.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.944 -0.571 . . . . 99.99 110.67 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.4 t -64.03 -44.4 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.042 -0.526 . . . . 99.99 110.431 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.29 -29.66 69.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.404 -0.362 . . . . 99.99 111.93 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.6 t -74.08 -49.97 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.574 -0.285 . . . . 99.99 110.852 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -73.13 -33.76 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.928 0.394 . . . . 99.99 111.459 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -115.16 93.24 34.6 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.767 -0.457 . . . . 99.99 109.767 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.02 144.02 86.47 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.808 2.338 . . . . 10.0 112.999 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -107.32 105.25 15.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.545 -0.752 . . . . 99.99 110.115 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.9 pt -86.61 -10.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 99.99 111.148 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.0 mtp-105 -74.39 -40.62 61.94 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.2 -0.667 . . . . 99.99 109.2 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -131.51 74.14 78.73 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.707 -0.849 . . . . 99.99 108.707 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -92.86 159.31 2.75 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.699 2.266 . . . . 10.0 112.435 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.1 mp -91.98 -28.78 17.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.967 -0.753 . . . . 99.99 108.967 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -123.85 103.82 8.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.287 -0.87 . . . . 99.99 110.33 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.7 tpt -64.25 -31.92 73.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 99.99 110.697 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -63.01 -48.71 77.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 99.99 111.166 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.78 -35.06 67.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.386 -0.37 . . . . 99.99 111.149 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.42 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 99.99 110.616 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.47 -42.26 99.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 99.99 110.423 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 34.9 tp -56.81 -47.67 79.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.878 -0.601 . . . . 99.99 111.323 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.24 -28.54 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 99.99 111.716 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.9 m -83.02 -32.35 26.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.357 -0.383 . . . . 99.99 111.154 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -80.99 -44.69 17.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 99.99 110.928 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -148.39 96.95 3.84 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.204 -0.453 . . . . 99.99 110.699 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -57.6 -37.71 96.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.964 2.443 . . . . 10.0 111.971 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -67.6 -41.01 84.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.368 . . . . 99.99 111.068 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.61 -43.59 98.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 99.99 110.223 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -67.98 -39.02 83.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 99.99 109.513 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -60.47 -37.82 82.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.39 -0.823 . . . . 99.99 110.58 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -64.48 -48.19 76.13 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.033 0.444 . . . . 99.99 109.861 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -60.43 -42.98 97.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.581 -0.736 . . . . 99.99 110.252 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.5 90.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.682 -0.69 . . . . 99.99 111.295 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.46 -52.27 65.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.516 -0.311 . . . . 99.99 110.649 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -57.53 -44.62 85.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.846 -0.615 . . . . 99.99 110.761 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.02 -48.37 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.736 -0.666 . . . . 99.99 111.597 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.9 m -65.45 -40.1 92.83 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.143 0.423 . . . . 99.99 112.143 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.74 -13.09 60.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.056 0.761 . . . . 99.99 113.056 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -113.42 -42.45 3.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.063 0.764 . . . . 99.99 113.063 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -101.74 -0.26 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.768 0.655 . . . . 99.99 112.768 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -93.9 155.73 22.12 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.396 -0.907 . . . . 99.99 112.78 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 38.7 t -82.48 145.25 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 108.29 -1.004 . . . . 99.99 108.29 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -56.42 142.18 39.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 99.99 111.61 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -71.24 118.63 67.61 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.579 -0.737 . . . . 99.99 110.448 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 C--O 1.249 1.054 0 C-N-CA 122.621 2.214 . . . . 10.0 111.816 179.924 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.115 -0.328 . . . . 99.99 110.115 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -96.74 124.86 40.85 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.816 0.341 . . . . 99.99 111.636 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 pt -111.17 167.19 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.747 -0.464 . . . . 99.99 109.747 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -121.9 114.95 21.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.773 0.32 . . . . 99.99 111.082 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -100.21 114.37 38.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.469 -0.567 . . . . 99.99 109.469 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -105.35 132.16 51.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.973 0.416 . . . . 99.99 110.835 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.4 p -97.33 169.98 9.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.892 -0.595 . . . . 99.99 110.858 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 29.9 mt -71.36 -6.94 43.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 99.99 111.501 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.25 0.79 54.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.175 0.512 . . . . 99.99 110.903 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.76 -14.87 61.93 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 99.99 112.734 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.542 ' HZ2' ' CD ' ' B' ' 34' ' ' GLU . 85.1 tttt -70.84 126.54 29.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.77 0.319 . . . . 99.99 110.529 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -114.71 130.13 56.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.375 -0.375 . . . . 99.99 110.086 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 18.9 pt -118.16 137.98 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 99.99 111.529 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.45 140.7 29.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.648 -0.705 . . . . 99.99 109.715 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 tp -143.48 126.69 16.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.828 0.346 . . . . 99.99 111.262 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -92.51 113.33 25.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.068 0.461 . . . . 99.99 110.34 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.71 177.19 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.616 -0.72 . . . . 99.99 109.537 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -131.1 157.91 76.71 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.061 -0.348 . . . . 99.99 110.061 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -52.66 -32.98 57.16 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.957 2.438 . . . . 10.0 113.014 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.23 0.05 12.98 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.518 0.562 . . . . 99.99 112.518 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.93 141.18 28.91 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.09 -0.337 . . . . 99.99 110.09 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.7 150.5 22.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.109 -0.33 . . . . 99.99 110.109 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -54.68 -38.03 41.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.69 0.281 . . . . 99.99 111.106 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -59.81 -45.95 90.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.124 -0.489 . . . . 99.99 110.544 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -65.87 -35.78 81.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.431 . . . . 99.99 110.378 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.83 -44.46 99.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.758 -0.655 . . . . 99.99 110.191 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.488 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 90.4 mttt -59.22 -41.45 88.66 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.16 -0.473 . . . . 99.99 110.827 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.02 83.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 99.99 110.297 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -68.44 -34.32 75.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 99.99 110.762 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.86 -43.04 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.956 -0.565 . . . . 99.99 109.854 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -63.34 -27.66 69.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 99.99 111.122 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.52 -46.44 72.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.971 -0.559 . . . . 99.99 111.861 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -86.83 -41.2 14.23 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.964 0.727 . . . . 99.99 112.964 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.542 ' CD ' ' HZ2' ' B' ' 11' ' ' LYS . 26.7 tp10 -86.63 -67.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.875 0.369 . . . . 99.99 110.686 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.86 -14.98 5.18 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.364 -0.922 . . . . 99.99 112.946 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.3 mt -64.09 120.7 66.49 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.407 0.146 . . . . 99.99 110.992 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.76 148.85 90.57 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.112 2.541 . . . . 10.0 112.193 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.71 -27.95 84.97 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.117 2.545 . . . . 10.0 112.651 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.88 -21.62 63.31 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.516 0.674 . . . . 99.99 110.612 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -107.17 10.02 30.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.854 -0.612 . . . . 99.99 111.33 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -101.82 99.71 9.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.976 0.417 . . . . 99.99 112.119 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -104.97 91.25 3.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.7 -0.482 . . . . 99.99 109.7 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 mt -80.89 123.76 28.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 99.99 111.703 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 25.0 mm -116.02 128.17 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.684 . . . . 99.99 109.956 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -144.91 135.88 24.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.229 -0.442 . . . . 99.99 109.991 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.45 26.83 16.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.038 0.446 . . . . 99.99 111.829 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.29 8.31 87.71 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.861 -0.685 . . . . 99.99 113.391 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -133.24 164.35 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.265 0.532 . . . . 99.99 111.674 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -83.73 150.27 25.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.928 -0.578 . . . . 99.99 110.953 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.4 mt -97.64 112.81 24.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.782 -0.644 . . . . 99.99 110.578 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -71.75 135.88 46.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.179 -0.464 . . . . 99.99 109.806 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.488 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 13.0 m-20 -59.48 -24.44 63.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.495 0.554 . . . . 99.99 112.495 -179.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.42 -6.13 81.34 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.854 -0.689 . . . . 99.99 113.047 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -93.97 160.39 14.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.342 . . . . 99.99 110.442 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 80.6 p -103.3 176.81 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.781 -0.822 . . . . 99.99 108.781 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 mt -68.55 -26.43 65.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.217 0.532 . . . . 99.99 110.004 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -27.61 61.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.587 -0.733 . . . . 99.99 110.715 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.84 -31.13 71.36 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.168 -0.469 . . . . 99.99 111.339 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -107.23 9.24 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.038 -0.528 . . . . 99.99 112.071 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 56.05 50.76 13.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.215 0.531 . . . . 99.99 111.385 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.5 mt -88.46 123.46 40.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 99.99 110.528 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -100.5 -179.08 3.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 99.99 110.537 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -72.19 150.25 43.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.431 -0.35 . . . . 99.99 110.78 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 67.71 12.07 8.67 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.891 0.7 . . . . 99.99 112.891 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -77.54 133.17 38.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.752 0.311 . . . . 99.99 110.487 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -89.74 130.08 36.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 99.99 110.873 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.1 mt -108.83 144.16 37.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.389 -0.597 . . . . 99.99 109.389 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -97.27 115.84 28.38 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.599 -0.273 . . . . 99.99 110.372 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 tp -100.7 105.31 16.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.164 0.506 . . . . 99.99 111.25 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 41.7 t -89.53 127.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.771 -0.65 . . . . 99.99 109.648 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 70.5 mt -76.9 113.65 14.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.351 -0.386 . . . . 99.99 110.735 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -91.9 91.53 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 99.99 111.203 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.0 mp -80.65 97.0 7.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.01 0.433 . . . . 99.99 110.741 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -83.8 85.56 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 99.99 110.948 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.84 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . 135.92 140.49 4.17 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.716 -0.754 . . . . 99.99 112.623 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.949 -1.024 . . . . 99.99 110.083 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.631 0.253 . . . . 99.99 111.269 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -58.99 -32.88 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.241 0.46 . . . . 99.99 112.241 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 55.4 ttm -56.8 -43.61 81.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.359 . . . . 99.99 111.262 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -69.57 -36.33 76.18 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.863 -0.421 . . . . 99.99 109.863 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.57 -45.59 93.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.781 -0.645 . . . . 99.99 110.521 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.45 -40.22 87.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.922 0.391 . . . . 99.99 110.212 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -66.55 -45.37 79.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.19 -0.459 . . . . 99.99 110.542 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.04 -38.0 89.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 99.99 110.212 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.23 -49.42 77.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.913 -0.585 . . . . 99.99 110.108 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -60.51 -41.69 94.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 99.99 110.905 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -60.24 -50.66 72.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.844 -0.616 . . . . 99.99 111.042 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.3 mt -74.03 -22.77 59.43 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.964 0.727 . . . . 99.99 112.964 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -79.79 -41.54 26.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.945 0.402 . . . . 99.99 111.104 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -76.48 -30.48 57.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.172 -0.467 . . . . 99.99 110.403 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -130.51 75.95 78.24 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.953 -0.567 . . . . 99.99 109.745 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -91.58 147.95 3.41 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.3 2.667 . . . . 10.0 113.114 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.2 151.52 49.26 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.546 2.164 . . . . 10.0 110.9 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.47 -21.06 70.92 Favored 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 123.075 2.516 . . . . 10.0 113.243 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -95.11 8.93 41.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.62 0.6 . . . . 99.99 112.62 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.8 tp -141.24 122.63 14.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.93 0.395 . . . . 99.99 111.004 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -135.7 169.24 17.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.313 -0.403 . . . . 99.99 110.611 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 64.56 21.05 12.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.309 -0.405 . . . . 99.99 112.086 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 tp -65.94 107.79 1.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.123 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.91 165.04 29.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.71 -0.677 . . . . 99.99 110.054 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -174.43 4.3 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.149 -0.315 . . . . 99.99 110.149 179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -84.14 162.74 20.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.153 -0.314 . . . . 99.99 110.153 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.96 -31.42 72.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.192 -0.458 . . . . 99.99 112.162 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -135.46 16.26 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.796 0.295 . . . . 99.99 111.796 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -144.83 139.61 27.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.097 0.475 . . . . 99.99 111.537 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.58 -17.08 6.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 99.99 110.352 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -89.79 5.93 43.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 99.99 111.126 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.3 t -123.9 115.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.681 -0.488 . . . . 99.99 109.681 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -101.08 145.55 28.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.018 0.437 . . . . 99.99 111.141 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -126.95 126.05 42.56 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.661 -0.866 . . . . 99.99 108.661 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.41 160.45 41.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.88 0.371 . . . . 99.99 111.812 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.8 mt -107.14 120.11 41.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.613 -0.721 . . . . 99.99 109.599 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -90.88 134.1 34.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.097 -0.501 . . . . 99.99 109.758 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.94 92.18 29.5 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.185 -0.462 . . . . 99.99 110.343 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.57 152.2 82.49 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.521 2.148 . . . . 10.0 111.824 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -98.93 -35.16 10.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 99.99 111.062 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.81 125.61 90.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.933 -0.576 . . . . 99.99 111.31 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -67.43 150.18 80.6 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.729 2.286 . . . . 10.0 110.608 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -92.85 16.04 44.62 Favored 'Cis proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.678 -1.384 . . . . 10.0 112.22 0.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -65.18 -21.47 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 99.99 111.178 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -73.0 -4.84 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.479 0.548 . . . . 99.99 112.479 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -80.57 -27.23 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.633 0.254 . . . . 99.99 111.198 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -136.89 -168.5 2.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 99.99 111.144 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.94 161.58 31.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.05 -0.352 . . . . 99.99 110.05 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.94 136.67 49.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.627 -0.261 . . . . 99.99 110.82 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -91.01 132.61 35.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.561 -0.29 . . . . 99.99 110.835 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -118.84 151.36 38.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 99.99 111.296 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.46 114.46 22.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.899 -0.591 . . . . 99.99 109.894 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.7 mt -95.81 117.35 39.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.618 -0.512 . . . . 99.99 109.618 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.9 111.3 23.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.337 -0.392 . . . . 99.99 111.233 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -89.52 129.1 48.35 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.323 -0.399 . . . . 99.99 110.269 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.17 151.35 26.74 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.831 2.354 . . . . 10.0 110.912 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.89 -18.77 62.92 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.664 2.243 . . . . 10.0 112.794 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.45 16.65 8.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.784 0.326 . . . . 99.99 111.484 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -61.91 142.27 95.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.671 -0.492 . . . . 99.99 109.671 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -96.16 21.67 28.42 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 124.263 -1.14 . . . . 10.0 113.16 0.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -75.65 -19.48 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.448 0.642 . . . . 99.99 109.791 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -113.86 136.31 22.09 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.277 -0.874 . . . . 99.99 109.34 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.85 136.17 27.12 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.86 2.374 . . . . 10.0 112.865 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.33 128.05 14.98 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.692 2.261 . . . . 10.0 111.411 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.7 mtm -84.81 109.3 17.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.097 -0.502 . . . . 99.99 110.78 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.6 mt -107.13 123.61 62.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.142 -0.481 . . . . 99.99 110.115 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -132.85 157.73 44.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.357 -0.383 . . . . 99.99 110.11 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -85.11 130.8 34.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.666 -0.494 . . . . 99.99 109.666 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.88 -33.72 24.73 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.201 -0.454 . . . . 99.99 109.956 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.08 148.49 22.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.43 -0.805 . . . . 99.99 109.961 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -72.69 121.68 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 99.99 111.408 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.5 tt -125.72 127.21 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 99.99 110.743 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -82.74 84.35 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.043 0.449 . . . . 99.99 110.52 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -131.65 132.4 23.37 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.157 -0.683 . . . . 99.99 109.157 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.23 -13.28 15.59 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.108 2.539 . . . . 10.0 114.025 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -105.38 3.93 30.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.368 0.604 . . . . 99.99 110.808 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.34 144.32 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.147 -0.478 . . . . 99.99 110.164 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.55 168.4 10.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.253 -0.43 . . . . 99.99 111.001 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.79 -31.15 70.53 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.519 0.563 . . . . 99.99 112.519 -179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -75.18 -29.79 60.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.183 0.516 . . . . 99.99 110.676 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.32 13.17 7.71 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.81 -0.709 . . . . 99.99 112.344 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -86.96 153.87 21.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.84 0.352 . . . . 99.99 110.544 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.8 pt -133.71 -167.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.688 -0.687 . . . . 99.99 109.723 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 4.5 m -140.63 91.41 2.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.074 -0.512 . . . . 99.99 109.888 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -103.14 107.93 57.08 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.955 -0.566 . . . . 99.99 110.312 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -58.18 -22.95 59.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.632 2.221 . . . . 10.0 111.859 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.3 tt -72.32 -29.62 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.97 -0.559 . . . . 99.99 111.772 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.2 pt -106.97 17.55 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 121.107 0.48 . . . . 99.99 111.263 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.0 p -78.97 144.61 34.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.014 -0.736 . . . . 99.99 109.014 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.87 0.22 6.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.942 0.401 . . . . 99.99 111.734 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -93.48 -32.45 14.18 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.094 -0.503 . . . . 99.99 111.609 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -134.22 33.07 3.37 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.036 0.754 . . . . 99.99 113.036 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -79.84 133.85 36.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.249 0.547 . . . . 99.99 111.279 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -120.33 122.86 28.52 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.795 -0.639 . . . . 99.99 109.759 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.88 -18.44 56.81 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.953 2.435 . . . . 10.0 112.575 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.9 p -82.12 -0.1 43.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 99.99 111.521 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -87.69 130.49 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.828 0.346 . . . . 99.99 110.166 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -93.73 156.14 16.85 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.458 -0.571 . . . . 99.99 109.458 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.7 m -57.24 -29.48 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 99.99 111.693 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.54 -40.45 83.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 99.99 111.01 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.6 -35.01 67.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 99.99 110.328 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -65.38 -44.67 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.875 -0.602 . . . . 99.99 110.143 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.54 -36.05 82.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.711 -0.677 . . . . 99.99 110.825 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -65.67 -44.94 84.75 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.925 -0.398 . . . . 99.99 109.925 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.59 84.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 99.99 110.391 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 62.4 tp -62.65 -45.68 91.71 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.784 -0.643 . . . . 99.99 110.517 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.45 -38.16 76.95 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.041 0.448 . . . . 99.99 110.181 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.99 -45.76 98.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.049 -0.523 . . . . 99.99 110.329 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.47 -28.86 68.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.91 0.386 . . . . 99.99 111.613 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.9 t -72.65 -51.5 27.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.419 -0.355 . . . . 99.99 110.526 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.48 -32.53 68.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 99.99 111.03 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -115.18 92.5 31.84 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.414 . . . . 99.99 110.064 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.61 110.36 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.681 2.254 . . . . 10.0 111.918 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -68.45 108.41 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 99.99 110.726 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 pt -88.28 -8.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 99.99 111.495 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -74.36 -55.16 6.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.696 -0.483 . . . . 99.99 109.696 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -127.01 79.25 73.22 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.573 -0.739 . . . . 99.99 109.999 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -97.67 171.07 0.73 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.978 2.452 . . . . 10.0 112.041 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.5 mp -92.05 -33.65 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.593 0.711 . . . . 99.99 109.115 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -112.77 94.91 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.185 -0.916 . . . . 99.99 109.753 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 96.0 mtp -62.96 -27.54 69.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.598 -0.728 . . . . 99.99 111.057 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -67.92 -45.44 74.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.889 -0.596 . . . . 99.99 110.709 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.7 mp -71.24 -38.31 71.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 99.99 110.784 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.8 86.86 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.132 -0.485 . . . . 99.99 110.364 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.18 -40.1 86.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 99.99 110.915 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.5 tp -57.03 -45.6 83.01 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 99.99 110.25 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.73 -26.08 66.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.843 -0.617 . . . . 99.99 110.788 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.1 m -78.72 -39.52 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.104 -0.498 . . . . 99.99 110.487 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -75.85 -53.12 8.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.355 -0.384 . . . . 99.99 111.405 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -145.95 101.19 4.21 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 99.99 110.502 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -62.64 -35.39 70.16 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 123.062 2.508 . . . . 10.0 112.265 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -66.95 -40.92 87.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 99.99 110.961 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.66 -42.2 98.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.425 . . . . 99.99 110.198 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -69.52 -38.38 77.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.74 -0.663 . . . . 99.99 110.01 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -58.23 -41.52 84.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.547 -0.751 . . . . 99.99 111.338 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -62.73 -46.14 89.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 99.99 110.906 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -63.34 -47.68 81.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 99.99 110.56 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.37 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.871 -0.604 . . . . 99.99 110.989 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.35 -51.4 68.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 99.99 110.461 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.19 -43.65 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 99.99 110.403 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.46 -43.2 97.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.957 -0.565 . . . . 99.99 110.79 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 32.2 m -65.87 -43.25 88.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.054 -0.521 . . . . 99.99 111.648 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 29.2 mt -83.21 8.81 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.132 0.419 . . . . 99.99 112.132 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -125.62 -49.8 1.63 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.924 0.342 . . . . 99.99 111.924 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -97.31 -22.34 16.71 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.314 0.486 . . . . 99.99 112.314 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -77.5 172.16 55.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.96 -0.638 . . . . 99.99 113.062 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.25 158.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.141 -0.689 . . . . 99.99 109.141 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -63.11 155.84 26.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.029 0.442 . . . . 99.99 111.758 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -91.67 116.35 66.29 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.097 -0.501 . . . . 99.99 110.361 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 C--O 1.251 1.15 0 C-N-CA 122.624 2.216 . . . . 10.0 111.797 179.903 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.4 ptt? . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 109.695 -0.483 . . . . 99.99 109.695 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -85.22 118.75 24.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.267 -0.424 . . . . 99.99 111.785 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -126.07 168.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.278 -0.638 . . . . 99.99 109.278 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -126.71 131.73 51.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 99.99 111.713 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.55 123.29 67.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.19 -0.67 . . . . 99.99 109.19 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -107.63 131.86 53.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.555 -0.293 . . . . 99.99 110.894 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -91.69 173.28 7.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.459 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.6 -18.45 65.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.352 -0.386 . . . . 99.99 111.641 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.88 -4.78 57.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.852 0.358 . . . . 99.99 111.258 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.85 -13.92 65.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.821 -0.704 . . . . 99.99 112.423 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -60.85 110.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.866 -0.42 . . . . 99.99 109.866 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.24 129.84 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.768 0.318 . . . . 99.99 110.805 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.2 pt -121.54 144.75 29.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.415 -0.357 . . . . 99.99 110.773 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -91.04 142.81 27.37 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.542 -0.54 . . . . 99.99 109.542 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -137.02 138.69 40.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.493 -0.321 . . . . 99.99 110.499 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -107.78 98.87 8.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 99.99 109.961 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.12 153.6 24.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.221 -0.445 . . . . 99.99 110.421 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -99.86 159.67 29.31 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.995 -0.372 . . . . 99.99 109.995 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -55.26 -26.31 51.31 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.513 2.142 . . . . 10.0 112.245 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -3.17 41.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 99.99 111.84 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.63 130.33 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.093 -0.336 . . . . 99.99 110.093 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.73 150.62 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.167 -0.469 . . . . 99.99 109.928 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 mm -57.81 -38.75 67.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 99.99 110.655 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.01 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.006 0.431 . . . . 99.99 110.02 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -67.13 -35.49 79.84 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.344 -0.613 . . . . 99.99 109.344 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.56 -48.22 85.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.56 -0.745 . . . . 99.99 109.238 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.26 -44.81 80.08 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.871 -0.604 . . . . 99.99 110.46 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.66 80.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.466 -0.788 . . . . 99.99 111.129 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -74.08 -28.8 61.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 99.99 111.007 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.4 mt -70.05 -39.39 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.386 -0.598 . . . . 99.99 109.386 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -70.11 -21.41 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 99.99 110.064 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.98 -42.01 70.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 99.99 110.599 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.55 -52.27 5.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.763 0.653 . . . . 99.99 112.763 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -82.12 -57.73 3.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.771 0.32 . . . . 99.99 111.386 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.73 -0.02 19.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.516 -0.849 . . . . 99.99 112.723 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -70.13 124.28 90.43 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.547 -0.168 . . . . 99.99 110.547 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.38 132.38 48.39 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.015 2.477 . . . . 10.0 111.896 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.29 -28.69 73.09 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.433 2.755 . . . . 10.0 112.992 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.63 -22.36 64.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.233 0.54 . . . . 99.99 110.716 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -105.13 6.56 33.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.651 -0.704 . . . . 99.99 110.636 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -97.29 107.64 20.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.579 . . . . 99.99 111.695 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -107.76 96.79 6.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.199 -0.667 . . . . 99.99 109.199 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 35.2 mt -83.27 119.34 24.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.929 -0.578 . . . . 99.99 111.91 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.4 mm -114.77 131.15 67.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.648 -0.705 . . . . 99.99 109.961 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -149.88 136.96 19.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.165 -0.471 . . . . 99.99 109.927 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.64 31.27 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.695 0.622 . . . . 99.99 111.014 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.02 8.69 78.94 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.491 -0.777 . . . . 99.99 113.359 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -123.61 170.21 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.882 0.372 . . . . 99.99 111.026 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -98.16 132.44 43.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.996 -0.547 . . . . 99.99 110.082 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 60.2 mt -79.29 109.42 13.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.089 -0.505 . . . . 99.99 110.502 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -74.31 130.38 39.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 99.99 110.853 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -52.19 -33.32 40.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.435 0.902 . . . . 99.99 113.435 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.63 -10.28 85.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 99.99 113.744 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -96.0 165.52 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.987 0.393 . . . . 99.99 111.439 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 10.5 p -108.37 173.75 6.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.141 -0.481 . . . . 99.99 110.042 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 50.0 mt -64.67 -30.71 71.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 99.99 111.013 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -28.42 68.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 99.99 111.197 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -64.72 -26.71 68.48 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.159 -0.473 . . . . 99.99 111.659 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.04 10.45 24.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.499 -0.319 . . . . 99.99 111.661 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 60.12 37.57 20.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.856 -0.611 . . . . 99.99 111.183 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.2 mt -79.15 127.45 39.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.088 -0.505 . . . . 99.99 110.519 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -118.18 -169.99 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.319 -0.623 . . . . 99.99 109.319 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -74.42 157.12 36.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.289 -0.264 . . . . 99.99 110.289 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 68.82 11.87 8.47 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.856 0.687 . . . . 99.99 112.856 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.5 m -81.07 146.68 30.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.652 0.263 . . . . 99.99 110.657 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.41 116.85 32.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.315 -0.402 . . . . 99.99 111.156 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.5 mt -94.64 146.53 24.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.157 -0.474 . . . . 99.99 110.359 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -100.9 117.17 34.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.536 -0.542 . . . . 99.99 109.536 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.6 tp -101.49 101.27 11.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.08 0.466 . . . . 99.99 111.408 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 43.1 t -91.93 122.26 43.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.77 -0.65 . . . . 99.99 109.492 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.36 113.61 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.385 -0.371 . . . . 99.99 110.969 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -106.41 102.28 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.977 -0.556 . . . . 99.99 110.299 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.51 158.21 31.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.968 0.413 . . . . 99.99 111.33 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 42.9 mtp85 -99.74 32.2 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.133 -0.485 . . . . 99.99 111.371 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.61 137.99 2.31 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.677 -0.773 . . . . 99.99 112.094 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.254 1.3 0 CA-C-O 118.115 -0.945 . . . . 99.99 109.655 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.555 0.217 . . . . 99.99 111.408 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.34 -31.77 67.9 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.307 -0.406 . . . . 99.99 111.999 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.8 ttm -55.87 -44.67 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.394 . . . . 99.99 111.365 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -74.73 -37.13 62.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.515 -0.311 . . . . 99.99 110.246 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.2 t -58.09 -47.14 87.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 99.99 110.777 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.79 -37.78 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.115 0.483 . . . . 99.99 110.107 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -64.65 -49.34 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 99.99 110.241 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.08 -35.53 75.39 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.038 -0.528 . . . . 99.99 110.052 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.3 tp -63.02 -50.1 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.743 -0.662 . . . . 99.99 109.395 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.43 -43.14 99.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.04 -0.527 . . . . 99.99 110.817 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -57.09 -46.58 82.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.636 -0.711 . . . . 99.99 111.355 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.9 mt -84.33 -16.78 41.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.056 0.762 . . . . 99.99 113.056 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -39.68 23.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.893 0.378 . . . . 99.99 110.875 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -80.57 -27.95 37.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 99.99 110.689 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -134.67 77.66 57.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 99.99 109.842 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -87.9 148.54 7.02 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.928 2.419 . . . . 10.0 113.105 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.11 158.45 30.33 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.559 2.173 . . . . 10.0 110.468 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.72 -29.43 59.78 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.727 2.284 . . . . 10.0 112.893 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -82.6 1.34 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.213 0.82 . . . . 99.99 113.213 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.2 tp -134.56 122.96 23.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.651 0.262 . . . . 99.99 110.699 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -131.26 154.08 48.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.894 0.378 . . . . 99.99 111.888 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.7 t30 59.72 38.71 21.61 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.341 -0.845 . . . . 99.99 112.629 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.5 tp -72.11 106.72 4.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.327 -0.397 . . . . 99.99 110.721 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -136.17 154.36 50.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.398 -0.365 . . . . 99.99 110.373 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 m -78.56 174.51 11.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.708 0.29 . . . . 99.99 110.408 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -71.57 158.18 36.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.237 -0.438 . . . . 99.99 110.614 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.3 -39.51 83.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.575 -0.739 . . . . 99.99 112.976 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.9 -6.54 9.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.538 0.94 . . . . 99.99 113.538 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -132.54 120.39 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.04 0.448 . . . . 99.99 111.978 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -75.55 -14.27 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 99.99 110.659 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.5 mt -83.04 5.28 22.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.36 -0.382 . . . . 99.99 111.217 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.98 125.64 68.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.568 -0.53 . . . . 99.99 109.568 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -111.67 145.83 38.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.995 0.426 . . . . 99.99 111.659 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -127.32 124.86 39.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.914 -1.143 . . . . 99.99 107.914 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.66 161.71 42.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.965 0.412 . . . . 99.99 111.66 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.96 120.98 43.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.787 -0.642 . . . . 99.99 109.978 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.2 tp -92.25 133.18 36.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.58 . . . . 99.99 109.435 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.39 93.25 48.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.312 -0.403 . . . . 99.99 111.325 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.04 170.2 20.19 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.717 2.278 . . . . 10.0 110.446 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -122.11 -0.43 9.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.185 0.517 . . . . 99.99 111.687 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -81.32 120.32 78.03 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.582 -0.525 . . . . 99.99 109.582 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -60.2 138.77 83.54 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.439 2.093 . . . . 10.0 111.163 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -100.17 18.19 22.91 Favored 'Cis proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.949 -1.271 . . . . 10.0 112.4 -0.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -62.8 -22.38 66.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.184 -0.462 . . . . 99.99 111.667 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.02 4.39 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.63 0.974 . . . . 99.99 113.63 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.1 mt -81.25 -29.57 34.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.811 0.339 . . . . 99.99 110.446 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -135.27 -164.14 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 99.99 110.264 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.02 158.91 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.628 0.252 . . . . 99.99 110.485 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -125.91 126.18 43.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.478 -0.328 . . . . 99.99 111.072 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -84.1 135.17 34.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.262 -0.426 . . . . 99.99 110.115 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 pp -120.11 152.07 38.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.383 -0.371 . . . . 99.99 111.352 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.4 ttt-85 -122.35 112.9 18.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.776 -0.647 . . . . 99.99 109.972 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.8 mt -97.4 124.47 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.069 -0.514 . . . . 99.99 110.015 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 m -114.65 115.66 27.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.783 0.325 . . . . 99.99 111.129 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -92.9 130.91 34.81 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.951 -0.568 . . . . 99.99 110.07 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -81.47 160.42 19.66 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.681 2.254 . . . . 10.0 111.738 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 -3.99 14.26 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.578 2.185 . . . . 10.0 111.145 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.42 ' CD ' ' HZ3' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -101.66 14.29 32.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.535 -0.757 . . . . 99.99 109.801 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -69.65 143.84 93.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.808 -0.633 . . . . 99.99 109.859 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -96.94 21.13 28.16 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.976 -1.26 . . . . 10.0 112.415 -0.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -70.88 -29.66 65.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.076 0.465 . . . . 99.99 109.914 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.42 ' HZ3' ' CD ' ' A' ' 59' ' ' GLU . 5.0 mmmm -111.54 142.79 27.23 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.737 -0.665 . . . . 99.99 109.854 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.5 139.95 38.79 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.779 2.319 . . . . 10.0 112.895 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -76.62 143.25 23.94 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.559 2.173 . . . . 10.0 110.972 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.8 mtm -96.31 122.27 39.0 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.98 0.419 . . . . 99.99 111.204 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mt -112.45 131.14 64.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.975 -0.557 . . . . 99.99 109.876 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -130.7 156.82 44.29 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.765 -0.457 . . . . 99.99 109.765 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -92.27 127.14 37.64 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 110.029 -0.36 . . . . 99.99 110.029 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -23.7 31.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.838 -0.801 . . . . 99.99 108.838 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.0 m -98.38 143.66 28.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.069 -0.969 . . . . 99.99 109.943 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -78.26 115.84 18.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.976 0.417 . . . . 99.99 110.856 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.1 tt -119.03 127.8 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.026 -0.534 . . . . 99.99 111.517 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -79.6 69.28 5.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.819 -0.628 . . . . 99.99 109.467 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -116.45 131.18 23.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.971 -0.559 . . . . 99.99 110.789 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.84 -4.38 8.59 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.113 2.542 . . . . 10.0 113.789 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -118.07 14.67 14.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.501 0.667 . . . . 99.99 110.364 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.2 t -130.73 138.22 54.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 99.99 109.588 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.89 157.41 26.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.383 -0.371 . . . . 99.99 110.525 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -58.8 -29.89 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.118 0.784 . . . . 99.99 113.118 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -78.47 -27.57 46.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.302 0.573 . . . . 99.99 110.2 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.4 13.11 6.45 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.719 -0.753 . . . . 99.99 112.619 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -84.58 142.98 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 99.99 110.376 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.7 pt -128.71 164.7 30.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.277 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.5 88.2 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.44 0.638 . . . . 99.99 111.088 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.29 124.52 53.32 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.46 -0.791 . . . . 99.99 110.379 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -59.07 -28.64 88.39 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.973 2.449 . . . . 10.0 112.18 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.5 tt -67.03 -30.31 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 116.149 -0.478 . . . . 99.99 112.208 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.2 pt -117.64 27.23 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.129 0.49 . . . . 99.99 110.512 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 92' ' ' GLU . 80.9 p -74.94 157.46 34.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.724 -0.671 . . . . 99.99 109.791 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -80.08 32.79 0.27 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.28 0.562 . . . . 99.99 110.311 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 90' ' ' SER . 9.8 tm-20 -140.64 -56.73 0.52 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.763 -0.653 . . . . 99.99 110.611 -179.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.73 35.95 2.19 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.418 0.525 . . . . 99.99 112.418 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -75.86 134.35 40.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 99.99 110.7 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -121.25 110.25 34.5 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.704 -0.68 . . . . 99.99 109.367 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.15 -11.82 29.48 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.088 2.525 . . . . 10.0 112.413 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -80.89 -14.18 58.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.189 -0.459 . . . . 99.99 111.244 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.45 151.85 22.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 99.99 110.481 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -111.36 170.67 7.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 99.99 109.987 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.0 m -60.13 -27.84 67.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 99.99 111.215 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -49.06 75.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 99.99 110.798 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -70.7 -30.62 67.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 99.99 111.027 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.99 -47.79 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 99.99 109.854 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.73 -33.64 76.09 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.178 0.513 . . . . 99.99 109.974 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -63.82 -49.24 73.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.541 -0.754 . . . . 99.99 109.47 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.77 97.41 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.664 -0.698 . . . . 99.99 110.37 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 tp -58.7 -47.41 84.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.891 -0.595 . . . . 99.99 109.983 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -58.81 -41.92 87.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 99.99 110.833 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.44 -48.2 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 99.99 110.697 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 mt -64.45 -29.15 70.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.38 . . . . 99.99 111.734 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.9 t -75.14 -43.94 43.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 110.243 -0.28 . . . . 99.99 110.243 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -72.08 -37.78 69.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 99.99 111.099 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -108.57 96.75 20.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.597 -0.52 . . . . 99.99 109.597 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.32 108.93 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.873 2.382 . . . . 10.0 112.753 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -73.41 109.71 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.014 -0.539 . . . . 99.99 110.411 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 24.3 pt -89.18 -6.95 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.983 -0.553 . . . . 99.99 111.465 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -75.81 -57.03 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.461 -0.57 . . . . 99.99 109.461 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -120.52 78.63 28.74 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.786 -0.643 . . . . 99.99 109.431 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -97.46 169.14 0.82 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.851 2.367 . . . . 10.0 112.702 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.2 mp -100.11 -14.11 18.71 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.162 -0.681 . . . . 99.99 109.162 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -129.29 95.19 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.379 -0.828 . . . . 99.99 110.283 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -61.33 -32.89 72.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 99.99 110.844 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -66.17 -48.3 71.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.791 -0.64 . . . . 99.99 111.507 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.1 mp -68.52 -37.53 80.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.032 -0.531 . . . . 99.99 111.189 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.96 79.83 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.141 -0.481 . . . . 99.99 111.281 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -65.79 -38.08 88.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.414 -0.357 . . . . 99.99 110.375 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 46.7 tp -59.91 -47.47 85.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.942 -0.572 . . . . 99.99 111.23 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.15 -38.14 87.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.009 0.433 . . . . 99.99 111.039 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.7 m -72.07 -19.08 61.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.933 -0.576 . . . . 99.99 111.444 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -94.9 -50.53 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.693 0.282 . . . . 99.99 111.165 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -144.83 102.79 4.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.371 -0.377 . . . . 99.99 110.125 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.18 -36.65 56.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.977 2.451 . . . . 10.0 112.403 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -68.87 -43.82 74.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.386 -0.37 . . . . 99.99 111.046 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.0 tp -60.02 -43.82 95.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.993 0.425 . . . . 99.99 110.32 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -66.06 -41.66 90.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.805 -0.634 . . . . 99.99 109.812 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -60.18 -40.7 90.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.525 -0.762 . . . . 99.99 110.958 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.84 -47.52 85.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.129 0.49 . . . . 99.99 110.402 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -62.59 -45.64 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.356 -0.838 . . . . 99.99 110.796 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.573 . . . . 99.99 111.326 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.57 -48.76 80.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 99.99 111.069 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -60.18 -44.13 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.043 -0.526 . . . . 99.99 110.706 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -65.52 -45.05 85.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 99.99 111.27 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 26.2 m -64.04 -38.16 90.05 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.172 0.434 . . . . 99.99 112.172 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.8 -5.32 57.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.708 0.633 . . . . 99.99 112.708 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -114.64 -42.9 3.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.811 0.671 . . . . 99.99 112.811 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.71 6.35 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.126 0.417 . . . . 99.99 112.126 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -100.59 151.89 19.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 99.99 112.776 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 20.1 t -76.52 152.39 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.073 -0.714 . . . . 99.99 109.073 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -56.83 156.03 7.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.35 . . . . 99.99 111.849 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -91.41 109.02 33.17 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 99.99 110.912 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo . . . . . 0 C--O 1.252 1.219 0 C-N-CA 123.157 2.571 . . . . 10.0 111.623 179.748 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptt? . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 121.116 0.484 . . . . 99.99 110.734 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -85.79 129.04 34.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.728 -0.669 . . . . 99.99 111.551 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -125.51 169.48 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.362 -0.607 . . . . 99.99 109.362 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.37 123.05 42.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.883 0.373 . . . . 99.99 110.976 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.77 107.97 24.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.223 -0.658 . . . . 99.99 109.223 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -101.64 129.15 47.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.427 -0.351 . . . . 99.99 111.08 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -97.92 170.1 9.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.908 -0.587 . . . . 99.99 110.348 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.62 -17.31 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 99.99 111.531 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.78 4.08 50.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.348 -0.387 . . . . 99.99 111.14 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.53 11.31 85.42 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.915 -0.66 . . . . 99.99 112.556 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.461 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 50.1 tttm -86.04 82.9 7.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 99.99 110.05 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -79.24 113.96 17.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.969 -0.56 . . . . 99.99 110.159 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 pt -111.33 151.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.39 -0.368 . . . . 99.99 110.977 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.5 142.76 27.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.207 -0.451 . . . . 99.99 110.189 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 tp -138.54 140.32 39.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.781 0.324 . . . . 99.99 110.641 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.1 105.82 16.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.957 -0.565 . . . . 99.99 109.692 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.3 m -131.49 167.85 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.28 -0.418 . . . . 99.99 110.743 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -112.85 158.61 37.2 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 109.814 -0.439 . . . . 99.99 109.814 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -58.8 -23.31 66.26 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.196 1.931 . . . . 10.0 111.718 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.22 8.7 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.998 -0.547 . . . . 99.99 111.348 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.61 131.58 35.52 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.103 -0.332 . . . . 99.99 110.103 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.51 149.68 25.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.55 -0.537 . . . . 99.99 109.55 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -55.66 -40.91 62.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.678 0.275 . . . . 99.99 111.336 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -61.1 -36.03 78.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.1 0.476 . . . . 99.99 110.626 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.7 -39.31 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 99.99 109.68 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.45 -40.39 86.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.888 -0.596 . . . . 99.99 109.683 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -59.42 -42.13 91.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.913 -0.585 . . . . 99.99 110.818 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.91 85.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.902 -0.59 . . . . 99.99 110.285 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -66.4 -38.1 86.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 99.99 110.688 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.15 -37.65 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.265 -0.642 . . . . 99.99 109.265 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -66.79 -37.15 84.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.427 -0.806 . . . . 99.99 109.756 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.67 -35.95 81.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 99.99 111.305 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -86.54 -63.6 1.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.742 0.645 . . . . 99.99 112.742 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.461 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 79.7 mm-40 -80.33 -47.32 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.815 0.672 . . . . 99.99 112.815 -177.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.15 13.32 19.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.548 -0.834 . . . . 99.99 112.421 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -77.32 125.47 86.33 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.294 -0.262 . . . . 99.99 110.294 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -53.27 134.32 56.32 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.92 2.414 . . . . 10.0 111.668 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.71 -30.42 75.61 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.434 2.756 . . . . 10.0 113.613 -178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.39 -25.71 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.829 0.307 . . . . 99.99 111.829 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -93.11 4.05 54.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.604 -0.271 . . . . 99.99 111.317 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -91.05 104.06 16.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.14 0.495 . . . . 99.99 111.648 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -105.48 90.32 3.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.773 -0.649 . . . . 99.99 109.419 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 mt -84.73 120.54 26.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.983 -0.553 . . . . 99.99 112.09 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -119.31 130.47 73.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 99.99 110.208 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -139.8 127.05 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.411 -0.359 . . . . 99.99 110.673 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.47 33.64 23.55 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.089 -0.505 . . . . 99.99 111.63 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.2 7.4 84.63 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.818 -0.628 . . . . 99.99 113.118 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm -118.05 142.56 47.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.235 -0.283 . . . . 99.99 110.235 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -85.41 132.78 34.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.298 -0.41 . . . . 99.99 110.051 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 37.3 mt -80.75 109.71 15.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.003 -0.544 . . . . 99.99 110.431 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.27 135.92 40.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 99.99 110.753 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.08 -44.33 41.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.093 0.775 . . . . 99.99 113.093 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.39 35.73 3.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 99.99 114.064 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -129.08 160.81 31.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.827 0.314 . . . . 99.99 110.416 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.45 159.84 15.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.266 -0.425 . . . . 99.99 110.204 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.6 -29.53 69.26 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.095 0.474 . . . . 99.99 111.089 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -28.69 69.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 99.99 111.412 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.57 -38.09 89.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 99.99 111.446 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -96.89 6.78 48.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 99.99 111.249 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 60.37 35.63 20.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.756 -0.656 . . . . 99.99 111.245 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.1 mt -75.24 116.58 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 99.99 110.262 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -105.4 -165.6 1.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 99.99 110.353 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 153.78 35.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.728 0.299 . . . . 99.99 110.917 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.16 16.3 10.39 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.802 0.667 . . . . 99.99 112.802 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.6 m -76.53 142.2 40.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.375 -0.231 . . . . 99.99 110.375 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.23 104.62 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.188 0.518 . . . . 99.99 111.252 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 78.4 mt -87.27 139.81 30.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.905 -0.588 . . . . 99.99 109.643 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -100.76 108.54 20.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.918 -0.401 . . . . 99.99 109.918 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 44.4 tp -93.57 100.85 13.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.392 0.615 . . . . 99.99 111.264 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 41.5 t -91.58 134.38 30.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.54 -0.911 . . . . 99.99 108.54 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.6 mp -99.64 132.74 44.78 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 121.003 -0.279 . . . . 99.99 110.66 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -111.31 132.86 54.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.347 -0.388 . . . . 99.99 110.002 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 tp -81.82 128.13 33.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.983 0.421 . . . . 99.99 109.927 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -109.78 84.69 1.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.062 -0.517 . . . . 99.99 111.225 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 145.2 60.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.471 -0.871 . . . . 99.99 112.975 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 77.5 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.864 -0.589 . . . . 99.99 110.423 179.892 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.667 0.27 . . . . 10.0 111.224 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.95 -23.45 65.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.234 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.8 mmm -53.19 -48.6 67.92 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.485 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.432 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 5.6 ttp180 -66.05 -40.16 90.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.32 . . . . 10.0 110.254 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.24 -43.86 86.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.017 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.5 t -63.79 -41.09 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.969 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -64.3 -48.52 75.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.757 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.656 ' HG2' ' HE2' ' A' ' 99' ' ' LYS . 47.4 mt-10 -58.21 -41.95 85.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.636 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.4 tp -67.09 -46.27 74.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.237 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.79 -37.39 76.22 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.412 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -72.67 -46.27 54.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.059 0.457 . . . . 10.0 110.817 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' A' ' 101' ' ' CYS . 39.5 mt -67.84 -28.86 67.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 25' ' ' SER . 81.0 mt-30 -77.58 -6.16 52.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -102.35 -34.59 9.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 10.0 110.74 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 65.7 mmtt -135.62 71.18 65.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.217 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 96.9 Cg_endo -79.23 141.06 15.96 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.424 2.083 . . . . 10.0 112.401 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 37.8 Cg_exo -62.92 154.33 67.34 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.945 2.43 . . . . 10.0 111.139 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.25 -11.39 25.13 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.838 2.359 . . . . 10.0 113.215 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -108.48 7.96 27.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.77 0.285 . . . . 10.0 111.77 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 tp -135.5 105.5 6.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.904 0.383 . . . . 10.0 110.652 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.67 164.32 20.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.395 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.7 37.79 18.81 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.529 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 48.2 tp -84.86 116.1 23.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.035 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.426 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 41.3 m -153.69 166.38 33.0 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.475 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.41 162.39 25.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.622 0.249 . . . . 10.0 110.399 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.34 149.91 47.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.087 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -55.71 -29.44 59.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.641 0.608 . . . . 10.0 112.641 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.0 30.34 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.93 0.344 . . . . 10.0 111.93 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -162.04 120.68 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.053 0.454 . . . . 10.0 111.838 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.91 -14.13 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.32 0.581 . . . . 10.0 110.617 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.53 6.75 44.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.966 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.23 118.75 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.101 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.64 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 40.5 m0 -98.75 143.66 28.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.978 0.418 . . . . 10.0 111.392 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.455 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 21.3 m-70 -121.96 125.96 47.52 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.423 -0.955 . . . . 10.0 108.423 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.15 158.93 41.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.911 0.386 . . . . 10.0 111.666 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.5 mt -110.63 117.81 34.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.509 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 25.5 tp -86.31 132.0 34.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.016 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.6 88.08 12.96 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 14.7 Cg_exo -70.26 145.95 55.73 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.282 1.988 . . . . 10.0 110.456 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -96.41 -25.39 15.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.108 0.48 . . . . 10.0 110.549 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.502 ' HG3' ' HD2' ' A' ' 43' ' ' PRO . 13.0 tp60 -61.89 138.22 95.52 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.441 -0.799 . . . . 10.0 111.274 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HD2' ' HG3' ' A' ' 42' ' ' GLN . 70.0 Cg_endo -76.67 142.29 22.83 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.621 2.214 . . . . 10.0 111.378 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 91.2 Cg_endo -100.07 20.92 21.54 Favored 'Cis proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.951 -1.27 . . . . 10.0 111.758 -0.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -66.13 -13.6 60.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.969 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.445 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 25.4 p80 -78.16 -3.72 43.93 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.23 -25.08 34.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.903 0.382 . . . . 10.0 111.426 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HB2' HG22 ' A' ' 143' ' ' THR . 71.9 mmtt -136.38 -170.66 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.677 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.98 156.55 43.61 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -123.88 126.49 46.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.774 0.321 . . . . 10.0 110.66 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -83.66 134.48 34.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.501 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.01 146.59 47.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.683 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 53' ' ' ARG . 22.7 ttt-85 -116.77 114.8 24.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.645 HG23 HG12 ' A' ' 67' ' ' ILE . 38.3 mt -96.36 118.4 42.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.37 112.22 25.18 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.037 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.45 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 65.5 m-85 -87.64 128.47 54.45 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.655 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 6.5 Cg_exo -75.37 152.36 39.0 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.69 2.26 . . . . 10.0 110.851 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.23 -15.33 48.92 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.507 2.138 . . . . 10.0 112.561 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -99.95 24.12 8.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.628 -0.26 . . . . 10.0 111.574 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.44 ' HE1' ' HD3' ' A' ' 65' ' ' PRO . 10.7 t80 -63.49 142.92 97.94 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.404 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . 67.8 Cg_endo -97.34 20.27 28.39 Favored 'Cis proline' 0 N--CA 1.459 -0.534 0 C-N-CA 124.151 -1.187 . . . . 10.0 112.808 0.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -70.27 -29.27 65.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.291 0.567 . . . . 10.0 109.573 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -107.13 133.46 20.3 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.641 178.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 41.0 Cg_endo -67.93 139.85 48.55 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.825 2.35 . . . . 10.0 113.113 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.494 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 55.0 Cg_endo -71.7 124.82 10.55 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.756 2.304 . . . . 10.0 111.422 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 36.0 mtm -81.77 112.75 19.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.545 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 54' ' ' ILE . 53.8 mt -104.12 131.66 52.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.727 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -135.81 160.85 37.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.27 134.22 34.76 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.711 -0.395 . . . . 10.0 110.672 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -81.26 -39.89 24.59 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.06 -164.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.893 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 146' ' ' PHE . 26.7 mmtm -121.16 118.84 30.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.777 0.322 . . . . 10.0 110.744 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.455 HG12 ' HB2' ' A' ' 75' ' ' HIS . 6.6 tt -116.71 122.33 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.442 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -80.22 74.69 7.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.117 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' HB2' HG12 ' A' ' 73' ' ' ILE . 36.5 t60 -126.08 137.55 30.39 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.063 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 27.6 Cg_endo -62.78 -6.07 8.51 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.01 2.473 . . . . 10.0 113.775 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.623 HD21 ' HB3' ' A' ' 115' ' ' ASN . 18.8 m120 -110.52 10.99 23.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.046 0.451 . . . . 10.0 111.087 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -130.68 145.11 36.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -86.09 172.53 10.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.574 0.226 . . . . 10.0 111.316 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.35 -25.12 67.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.594 0.591 . . . . 10.0 112.594 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.442 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 4.2 m120 -84.49 -48.74 9.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.149 0.5 . . . . 10.0 110.298 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.79 20.55 0.32 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.238 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.74 154.65 20.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.794 0.33 . . . . 10.0 110.519 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 86' ' ' LEU . 13.4 pt -137.37 164.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.766 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.779 ' HB2' HD11 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -124.03 87.42 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.801 -0.636 . . . . 99.989999999999995 110.104 179.026 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.666 HD13 HD12 ' A' ' 84' ' ' ILE . 4.7 mp -104.0 111.11 65.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.558 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.84 -30.93 78.96 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.091 2.527 . . . . 10.0 112.593 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 103' ' ' VAL . 15.8 tt -61.62 -27.67 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 pt -127.94 39.29 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.073 0.463 . . . . 10.0 110.645 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.5 p -102.13 170.67 7.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.559 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -83.76 0.58 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.703 0.764 . . . . 10.0 109.612 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -101.92 -17.68 16.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.038 -0.983 . . . . 10.0 109.525 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -160.83 122.69 3.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.506 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -166.3 140.8 4.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.601 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -129.78 121.4 19.99 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.098 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 31.6 Cg_exo -60.99 -20.19 66.36 Favored 'Trans proline' 0 N--CA 1.475 0.436 0 C-N-CA 122.991 2.461 . . . . 10.0 112.525 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -75.65 -17.28 60.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.165 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.6 m -78.89 133.37 36.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.656 ' HE2' ' HG2' ' A' ' 9' ' ' GLU . 30.7 mtpt -95.85 161.98 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.562 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -60.3 -29.05 68.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.414 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -60.51 -37.22 80.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.943 0.401 . . . . 10.0 110.843 179.365 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -71.08 -37.43 72.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.143 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.494 ' HA ' HD13 ' A' ' 88' ' ' ILE . 29.2 t -65.61 -41.25 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.146 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.578 HD21 HD11 ' A' ' 54' ' ' ILE . 65.5 mt -60.72 -38.12 84.01 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.699 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 109' ' ' VAL . 40.2 tt0 -64.5 -48.84 73.65 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.854 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.54 -42.23 87.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.507 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.25 -49.32 77.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.221 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.99 -41.93 84.08 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.139 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 105' ' ' GLU . 71.9 t -62.73 -44.39 99.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.895 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.2 mt -69.95 -29.22 66.29 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.04 -39.08 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.099 0.476 . . . . 10.0 109.884 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -77.15 -50.19 13.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.546 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -103.14 106.38 50.75 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.459 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.66 147.25 63.09 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.849 2.366 . . . . 10.0 112.383 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.623 ' HB3' HD21 ' A' ' 77' ' ' ASN . 48.8 t30 -105.46 106.34 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.793 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.3 pt -83.23 -2.91 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.761 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.8 mtp-105 -84.75 -54.73 4.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -126.62 81.29 68.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.819 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -96.47 175.75 0.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.954 2.436 . . . . 10.0 112.051 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.5 mp -105.59 -9.67 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.385 0.612 . . . . 10.0 109.469 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.597 ' HD3' HD22 ' A' ' 124' ' ' LEU . 11.6 mtp180 -135.82 96.65 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.335 -0.848 . . . . 10.0 110.227 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -60.87 -32.1 71.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -66.01 -47.24 75.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.298 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.597 HD22 ' HD3' ' A' ' 121' ' ' ARG . 4.8 mp -71.16 -37.73 72.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.077 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.85 90.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.198 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.38 -44.52 96.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.312 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.54 HD11 HD23 ' A' ' 134' ' ' LEU . 57.8 tp -60.99 -44.24 97.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.225 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.72 -36.15 82.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.445 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.4 m -87.29 14.04 8.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.279 0.562 . . . . 10.0 111.492 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -129.1 -49.2 1.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.179 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.42 ' HA ' ' HD2' ' A' ' 132' ' ' PRO . 38.7 t-20 -144.7 95.23 5.36 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.978 0.418 . . . . 10.0 110.431 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 131' ' ' ASN . 25.3 Cg_endo -63.18 -32.11 74.37 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.967 2.445 . . . . 10.0 112.521 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.479 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 21.1 tp10 -67.84 -48.09 67.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.794 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.54 HD23 HD11 ' A' ' 127' ' ' LEU . 29.0 tp -61.92 -41.97 98.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 10.0 110.192 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.472 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 84.0 t80 -63.92 -41.37 97.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.859 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -60.48 -42.89 97.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.831 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.479 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 64.6 mttm -58.36 -51.1 71.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.104 0.478 . . . . 10.0 110.958 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -43.04 99.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.253 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.01 82.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.425 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -61.83 -54.29 44.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.849 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 2.0 tt0 -58.35 -39.85 80.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.559 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -65.94 -43.98 86.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.27 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 48' ' ' LYS . 44.0 m -62.04 -39.71 93.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.044 0.449 . . . . 10.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 35.8 mt -87.2 12.09 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 29.5 ttt180 -120.37 -52.72 2.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.206 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.4 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 96.4 m-85 -115.46 36.63 3.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.327 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -126.09 158.24 20.24 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 22.9 t -81.72 148.32 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -63.45 145.82 54.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.754 0.312 . . . . 10.0 111.252 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.445 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 14.5 tpt180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.935 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.7 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.964 0.411 . . . . 10.0 110.811 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -89.69 120.38 30.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.471 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -113.38 172.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.2 m-85 -120.56 120.3 35.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.703 0.287 . . . . 10.0 110.883 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.6 t -106.35 110.47 31.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.455 ' HE3' ' HA2' ' B' ' 10' ' ' GLY . 72.9 tttt -105.65 126.27 51.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.002 0.43 . . . . 10.0 111.45 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.412 HG22 HD23 ' B' ' 69' ' ' LEU . 21.2 p -87.2 170.34 11.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.611 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.597 HD11 HG13 ' B' ' 70' ' ' VAL . 38.9 mt -69.18 -9.16 51.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.013 0.435 . . . . 10.0 110.865 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.89 3.18 55.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.678 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.455 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . 88.9 -23.39 17.51 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.348 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -60.27 114.27 2.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.933 0.397 . . . . 10.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -111.41 125.67 54.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.151 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 30.3 pt -114.6 155.77 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.007 0.432 . . . . 10.0 111.269 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.78 131.77 40.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.373 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' B' ' 29' ' ' LYS . 12.5 tp -128.48 133.68 48.54 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.822 -0.351 . . . . 10.0 111.241 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.81 109.92 22.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.501 . . . . 10.0 110.252 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.3 m -137.82 153.6 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.952 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 48.1 mm-40 -99.96 161.92 22.71 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.21 -30.34 70.98 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.144 1.896 . . . . 10.0 112.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.65 5.19 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.569 . . . . 10.0 112.354 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.5 OUTLIER -72.96 129.35 37.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.605 0.24 . . . . 10.0 110.647 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.414 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -79.31 147.88 32.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.054 179.222 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.437 HG12 ' O ' ' B' ' 54' ' ' ARG . 39.6 mm -58.19 -40.37 77.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.544 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -40.79 86.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.382 0.611 . . . . 10.0 109.979 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -34.56 76.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.861 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 22' ' ' THR . 61.6 t -62.66 -42.55 96.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.26 -41.19 88.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.22 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.22 96.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.166 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.516 ' HB3' HD11 ' B' ' 15' ' ' LEU . 92.7 mttt -64.73 -36.01 82.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.782 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.23 -44.58 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.911 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -66.56 -31.17 71.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.016 0.436 . . . . 10.0 110.392 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.53 -37.73 79.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.903 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.443 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 12.5 ptpt -99.87 -42.63 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -85.86 -60.34 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.61 0.243 . . . . 10.0 111.359 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.64 -4.71 11.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.602 -0.809 . . . . 10.0 112.633 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.15 122.46 82.87 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.469 0.176 . . . . 10.0 110.825 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 45.7 Cg_exo -57.8 135.89 71.98 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.119 2.546 . . . . 10.0 112.137 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 52.9 Cg_exo -57.8 -27.61 78.82 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.35 2.7 . . . . 10.0 112.641 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.81 -27.6 68.38 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.13 0.491 . . . . 10.0 110.755 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.409 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 48.8 mt-30 -102.69 7.16 39.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.636 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -95.61 104.07 15.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.049 0.389 . . . . 10.0 112.049 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -109.74 96.28 6.15 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.521 ' HB3' HD12 ' B' ' 50' ' ' LEU . 38.8 mt -82.89 119.02 23.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.809 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.9 mm -110.84 127.76 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.811 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.531 ' HB3' HD21 ' B' ' 50' ' ' LEU . 53.7 t80 -130.36 117.0 19.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.178 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.63 28.35 15.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.962 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.06 -11.0 73.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.831 -0.699 . . . . 10.0 113.259 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -100.09 145.45 27.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.785 0.293 . . . . 10.0 110.256 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -87.98 131.09 34.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' B' ' 45' ' ' PHE . 59.8 mt -77.22 113.44 14.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.247 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.69 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 1.2 tt0 -73.63 135.69 43.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.751 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.06 -40.52 45.44 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.222 0.823 . . . . 10.0 113.222 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.97 5.19 80.53 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.829 -0.7 . . . . 10.0 114.508 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.69 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 3.6 mmp_? -98.04 163.22 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.369 0.584 . . . . 10.0 110.14 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.0 p -114.35 179.96 3.8 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.404 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 46.5 mt -73.4 -18.99 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.928 0.394 . . . . 10.0 110.971 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.6 m -75.45 -29.89 59.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.313 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.429 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 2.4 m-20 -58.43 -54.07 51.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.992 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -87.21 4.83 40.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.986 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 58.88 60.24 2.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.552 0.691 . . . . 10.0 110.281 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 65.8 mt -94.91 121.6 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.452 -0.795 . . . . 10.0 110.46 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -96.07 -174.44 3.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.821 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 17.6 pttp -76.48 155.92 33.44 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.842 -0.343 . . . . 10.0 111.014 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.13 9.05 6.95 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -66.06 129.52 40.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.868 0.366 . . . . 10.0 110.398 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.6 m -94.09 111.79 23.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.86 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 29.6 mt -95.71 149.31 21.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.669 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -104.91 117.2 33.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.412 HD23 HG22 ' B' ' 7' ' ' THR . 55.4 tp -97.64 111.04 23.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.158 0.504 . . . . 10.0 112.02 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.597 HG13 HD11 ' B' ' 8' ' ' LEU . 47.4 t -98.72 129.23 49.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -90.03 127.98 36.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.348 0.594 . . . . 10.0 112.024 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.409 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 10.9 ttp180 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.802 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.411 0.148 . . . . 10.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 7' ' ' VAL . 1.5 m -66.52 -20.9 66.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.217 0.821 . . . . 10.0 113.217 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -52.15 -55.92 17.87 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.621 0.601 . . . . 10.0 112.621 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -64.02 -35.58 81.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.734 0.302 . . . . 10.0 111.003 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.5 t -59.59 -45.87 93.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.041 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 3' ' ' SER . 57.9 t -64.64 -38.14 81.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.215 0.531 . . . . 10.0 110.107 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 17.1 tptp -69.29 -41.09 77.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.316 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.05 -38.75 82.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.118 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.77 -52.04 66.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.622 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 26.8 tt0 -60.78 -37.47 81.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.482 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -52.08 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.09 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.023 HD21 ' HB3' ' A' ' 101' ' ' CYS . 41.7 mt -72.59 -23.92 61.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.892 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -74.19 -17.59 60.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 10.0 111.234 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 94.1 mttt -92.76 -38.79 11.6 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -122.89 74.98 47.89 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.238 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.57 137.0 7.71 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.793 2.328 . . . . 10.0 111.879 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 33.1 Cg_endo -68.03 145.78 68.68 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.39 2.06 . . . . 10.0 110.586 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.9 Cg_exo -56.34 -21.07 35.04 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 123.028 2.485 . . . . 10.0 114.07 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -97.09 7.19 47.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 14.9 tp -132.48 117.05 17.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.798 0.333 . . . . 10.0 110.792 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.477 ' HG2' HD13 ' A' ' 39' ' ' LEU . 16.2 mmt85 -124.0 166.0 16.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.41 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 58.43 29.8 18.76 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.643 0.608 . . . . 10.0 112.643 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.1 tp -68.87 101.22 1.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.31 0.576 . . . . 10.0 111.044 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.47 173.9 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.375 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -169.62 2.69 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.825 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 23.8 t70 -85.51 161.8 19.2 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.97 -37.72 80.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.817 0.341 . . . . 10.0 111.131 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.48 39.33 2.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.235 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 14.9 t-20 -162.73 139.6 7.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 10.0 110.978 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.5 p -98.85 -10.78 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.152 0.501 . . . . 10.0 110.52 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -94.37 15.04 18.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.163 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.825 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 62.1 t -134.52 123.62 42.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.762 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 42.1 m0 -105.7 140.88 38.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.023 0.439 . . . . 10.0 111.261 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -118.46 123.36 44.99 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.003 -1.11 . . . . 10.0 108.003 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.26 161.53 42.48 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.515 -0.474 . . . . 10.0 112.233 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.6 mt -113.81 123.03 48.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.799 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.8 tp -91.7 131.42 37.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.907 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.477 HD13 ' HG2' ' A' ' 22' ' ' ARG . 10.4 mp -117.32 88.61 28.57 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.574 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.93 158.05 53.51 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.668 2.245 . . . . 10.0 111.582 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -99.41 -33.55 10.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 10.0 110.82 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 5.4 tp-100 -56.98 121.1 43.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.417 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 21.2 Cg_exo -67.97 147.4 74.03 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.623 2.216 . . . . 10.0 110.774 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -95.96 18.83 33.31 Favored 'Cis proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.972 -1.262 . . . . 10.0 112.222 -0.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -62.69 -24.22 67.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.981 0.419 . . . . 10.0 111.415 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.558 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 0.7 OUTLIER -75.32 -0.26 19.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.906 0.706 . . . . 10.0 112.906 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -75.77 -29.61 58.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.76 0.314 . . . . 10.0 110.666 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.632 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 54.4 mmtt -140.99 -163.41 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.75 161.29 31.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.674 0.273 . . . . 10.0 110.373 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -126.51 134.13 50.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.192 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -91.1 136.13 33.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.782 0.325 . . . . 10.0 110.795 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.08 154.96 35.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.597 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -124.35 110.4 14.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.736 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.762 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 44.4 mt -93.97 117.72 38.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.489 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.52 114.56 28.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.439 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -89.2 130.82 42.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.215 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.611 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 72.0 Cg_endo -76.35 154.86 36.57 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.462 2.108 . . . . 10.0 111.229 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.4 -19.66 55.25 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.323 2.015 . . . . 10.0 111.855 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.595 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.1 mp0 -97.19 16.9 18.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.655 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 61' ' ' PRO . 35.3 t80 -62.01 140.19 95.83 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 60' ' ' TYR . 66.3 Cg_endo -98.73 25.64 18.95 Favored 'Cis proline' 0 C--N 1.35 0.623 0 C-N-CA 124.232 -1.153 . . . . 10.0 113.358 0.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -75.22 -25.5 58.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.484 0.659 . . . . 10.0 109.283 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.786 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -112.42 137.09 21.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.013 -0.994 . . . . 10.0 108.757 178.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.786 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 33.9 Cg_endo -65.76 137.64 50.41 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.724 2.282 . . . . 10.0 112.676 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.611 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 60.3 Cg_endo -73.77 151.49 46.17 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.519 2.146 . . . . 10.0 111.181 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 30.2 mtm -102.34 112.53 25.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.739 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.739 HG12 HG23 ' A' ' 54' ' ' ILE . 60.2 mt -113.3 122.88 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.013 0.435 . . . . 10.0 110.489 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.472 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 3.6 ptmm? -137.34 163.26 31.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.002 -0.544 . . . . 10.0 109.716 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -89.11 134.8 33.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.5 -33.8 31.68 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.33 178.85 5.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.107 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 146' ' ' PHE . 75.5 mmtt -97.66 128.49 44.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.788 0.327 . . . . 10.0 110.681 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.6 tt -128.19 129.68 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.234 0.54 . . . . 10.0 111.552 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -84.68 81.51 8.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.399 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -132.86 134.87 25.06 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.657 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.632 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 39.7 Cg_endo -66.59 -4.5 11.04 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.939 2.426 . . . . 10.0 113.762 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -116.44 17.85 15.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.058 0.456 . . . . 10.0 110.528 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.4 t -139.01 142.92 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -87.04 172.32 10.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.61 0.243 . . . . 10.0 111.187 179.7 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.28 -29.22 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.579 0.585 . . . . 10.0 112.579 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' OD1' ' HE3' ' A' ' 68' ' ' LYS . 23.6 t-20 -76.44 -33.87 58.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.201 0.524 . . . . 10.0 110.03 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.35 19.79 3.78 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.582 -0.736 . . . . 10.0 111.839 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -82.23 137.18 34.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.833 0.349 . . . . 10.0 110.517 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -127.29 140.59 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.587 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.681 ' HB2' HD11 ' A' ' 120' ' ' LEU . 62.8 m -104.04 108.66 20.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.417 . . . . 99.989999999999995 109.988 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.4 HD13 HD11 ' A' ' 89' ' ' ILE . 5.0 mp -116.77 120.53 34.08 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.806 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.21 -31.72 94.12 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.987 2.458 . . . . 10.0 111.954 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.654 HD11 HG21 ' A' ' 98' ' ' THR . 10.0 tp -62.78 -33.99 63.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.672 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.4 HD11 HD13 ' A' ' 86' ' ' LEU . 18.3 pt -113.27 29.58 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.251 0.548 . . . . 10.0 110.76 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.9 p -86.56 155.88 20.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.846 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.91 -7.39 45.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.087 0.47 . . . . 10.0 110.775 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -101.24 -28.71 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -128.84 25.53 5.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -75.29 123.98 26.29 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.405 -0.518 . . . . 10.0 111.503 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.441 ' HB2' ' HG1' ' A' ' 98' ' ' THR . 41.2 mtpt -113.77 117.27 44.61 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -58.92 -21.85 59.91 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 123.117 2.544 . . . . 10.0 113.292 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -9.01 58.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.798 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.654 HG21 HD11 ' A' ' 88' ' ' ILE . 1.3 m -84.2 134.13 34.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.438 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -92.63 160.17 15.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.782 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -60.35 -30.85 69.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.216 0.45 . . . . 10.0 112.216 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 1.023 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -60.77 -37.41 81.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.36 . . . . 10.0 110.95 179.656 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.17 -36.05 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.17 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.76 -42.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.437 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.418 HD21 HD11 ' A' ' 54' ' ' ILE . 62.4 mt -64.87 -35.28 80.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.175 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 109' ' ' VAL . 23.4 tt0 -63.9 -46.89 82.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.091 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.08 96.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.614 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.6 -47.38 84.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.516 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.93 -41.29 82.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.418 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 105' ' ' GLU . 83.2 t -63.04 -45.12 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.805 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.0 -31.73 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.835 0.309 . . . . 10.0 111.835 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.65 -44.5 52.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.037 0.446 . . . . 10.0 110.976 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.425 ' O ' ' HD3' ' A' ' 114' ' ' PRO . 46.9 m-80 -75.93 -33.55 59.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.322 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -113.1 92.19 20.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.003 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 112' ' ' ASN . 16.5 Cg_exo -67.88 106.09 1.25 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.433 2.089 . . . . 10.0 111.485 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -65.76 111.12 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.235 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.0 pt -84.19 -14.47 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.849 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.3 mtp-105 -76.57 -48.42 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.962 0.41 . . . . 10.0 110.84 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -127.74 79.73 73.11 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.036 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -95.08 175.82 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.828 2.352 . . . . 10.0 111.393 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.9 mp -103.36 -20.98 13.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.449 0.642 . . . . 10.0 109.485 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.452 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 47.3 mtp180 -132.15 97.68 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.238 -0.892 . . . . 10.0 110.025 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.411 ' SD ' HD22 ' B' ' 71' ' ' LEU . 4.8 mpp? -64.82 -25.23 67.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.539 ' HB3' ' HB ' ' B' ' 9' ' ' THR . 20.1 p-10 -68.51 -37.64 80.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 10.0 111.098 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.537 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 2.3 mp -81.76 -35.51 29.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.584 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.3 86.12 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.046 -0.524 . . . . 10.0 109.846 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -60.16 -44.49 94.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.305 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.437 HD11 HD23 ' A' ' 134' ' ' LEU . 12.0 tp -61.6 -47.13 86.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.324 -0.853 . . . . 10.0 111.133 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.8 -32.43 73.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.999 0.428 . . . . 10.0 111.729 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.7 m -78.01 -33.83 51.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.981 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -80.95 -54.86 5.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.497 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -139.83 101.92 7.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.991 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -62.93 -36.93 57.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.821 2.347 . . . . 10.0 112.348 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.561 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 20.3 tp10 -64.75 -42.99 94.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.835 0.35 . . . . 10.0 110.883 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.437 HD23 HD11 ' A' ' 127' ' ' LEU . 33.1 tp -59.41 -42.22 91.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.865 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.632 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 60.8 t80 -68.24 -40.58 81.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.603 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -57.3 -43.03 82.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.323 -0.853 . . . . 10.0 111.195 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.561 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 62.6 mttm -63.82 -50.76 67.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.998 0.428 . . . . 10.0 111.204 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.02 -44.69 97.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.323 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.8 88.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.341 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -58.53 -54.46 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.057 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -58.72 -43.71 90.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.826 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.61 -43.36 97.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.392 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.463 HG22 ' HB2' ' A' ' 48' ' ' LYS . 19.2 m -67.03 -37.58 84.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.248 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 91.0 mt -88.58 15.13 8.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.56 -0.291 . . . . 10.0 111.69 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -132.7 -45.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 83.1 m-85 -112.28 18.92 18.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.856 0.36 . . . . 10.0 111.169 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -108.54 163.65 12.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.694 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.532 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 35.9 t -91.44 150.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.632 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 2.9 t0 -64.21 144.91 56.78 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.694 -0.402 . . . . 10.0 111.3 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.558 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 1.8 ttt180 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.977 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.831 0.348 . . . . 10.0 110.688 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -88.42 126.69 35.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.545 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.4 pt -126.25 164.72 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.584 -0.525 . . . . 10.0 109.584 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -121.22 125.13 46.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.747 0.308 . . . . 10.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.485 ' HB ' HG13 ' B' ' 13' ' ' ILE . 21.8 t -106.98 107.18 22.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -100.23 128.24 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.414 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.536 HG22 HD23 ' B' ' 69' ' ' LEU . 40.0 p -89.11 -179.93 6.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.176 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.652 HD11 HG13 ' B' ' 70' ' ' VAL . 86.9 mt -82.82 -1.98 53.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.051 0.453 . . . . 10.0 110.753 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.539 ' HB ' ' HB3' ' A' ' 123' ' ' ASP . 0.8 OUTLIER -105.81 11.21 32.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.003 0.43 . . . . 10.0 111.402 -179.547 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.71 -26.8 7.0 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.805 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -64.15 112.12 2.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.862 0.363 . . . . 10.0 111.165 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.2 m -107.8 127.56 53.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.623 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.485 HG13 ' HB ' ' B' ' 5' ' ' VAL . 15.4 pt -113.8 139.67 38.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.87 0.367 . . . . 10.0 111.315 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.8 m -85.31 137.8 32.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.758 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' B' ' 29' ' ' LYS . 22.3 tp -137.37 150.48 47.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.372 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -112.63 119.76 39.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.334 0.588 . . . . 10.0 111.2 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.61 HG11 HG22 ' B' ' 26' ' ' VAL . 2.4 m -143.82 152.83 15.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.478 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.406 ' O ' HD12 ' B' ' 56' ' ' LEU . 67.0 mm-40 -101.13 158.89 30.94 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.457 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 50.3 Cg_exo -55.26 -23.29 36.51 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.394 2.062 . . . . 10.0 112.797 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -80.22 -14.62 58.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.867 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.33 137.55 56.13 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.921 0.391 . . . . 10.0 110.53 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 5.0 p -87.99 157.68 18.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.646 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.485 HG13 ' HB3' ' B' ' 50' ' ' LEU . 42.3 mm -59.71 -36.03 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.95 -40.19 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.109 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -71.08 -36.58 72.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.234 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.61 HG22 HG11 ' B' ' 17' ' ' VAL . 87.4 t -61.21 -43.32 96.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.628 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.29 -42.38 86.5 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.721 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.07 -40.41 96.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.32 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.727 ' HB3' HD11 ' B' ' 15' ' ' LEU . 94.2 mttt -65.56 -29.83 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.901 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.9 mt -73.53 -43.4 55.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.78 -25.86 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.586 -0.733 . . . . 10.0 109.969 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 9.1 t70 -59.73 -37.87 80.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.459 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.437 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 13.3 ptpt -101.25 -40.67 7.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.704 1.001 . . . . 10.0 113.704 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -88.6 -52.91 4.9 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.24 -14.13 18.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.223 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 60.6 mt -61.36 119.69 48.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 110.443 -0.206 . . . . 10.0 110.443 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 31.7 Cg_exo -60.59 141.56 95.57 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.723 2.282 . . . . 10.0 112.201 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -56.08 -28.32 69.23 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.32 2.68 . . . . 10.0 112.161 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -64.35 -24.07 67.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.389 0.614 . . . . 10.0 110.603 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.607 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 20.9 mt-30 -107.44 15.74 24.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.576 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -108.47 113.28 26.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.539 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.736 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 61.6 ttt-85 -112.73 95.72 5.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.656 ' HB3' HD12 ' B' ' 50' ' ' LEU . 62.3 mt -86.95 124.3 33.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.09 -0.505 . . . . 10.0 112.119 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.5 mm -119.12 126.85 75.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.237 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -121.1 105.14 10.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.661 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.05 35.81 25.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.909 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.44 -15.99 60.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.033 -0.604 . . . . 10.0 112.768 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -89.32 126.82 35.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.464 -0.199 . . . . 10.0 110.464 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -76.68 124.59 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.656 HD12 ' HB3' ' B' ' 43' ' ' LEU . 83.7 mt -76.87 115.98 17.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.964 0.411 . . . . 10.0 111.774 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.422 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 2.2 tm-20 -80.26 133.77 36.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.84 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.87 -41.97 62.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.65 -4.17 84.56 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 121.041 -0.599 . . . . 10.0 114.584 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.422 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 5.5 mmp_? -94.72 157.87 15.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.48 0.64 . . . . 10.0 111.288 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 70.5 p -103.02 171.77 7.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 86.1 mt -67.61 -23.31 65.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.901 0.381 . . . . 10.0 110.356 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -75.32 -22.31 57.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.868 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.68 -40.3 95.17 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.617 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -99.94 6.36 45.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.988 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 56.02 63.52 2.0 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.333 0.587 . . . . 10.0 110.739 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -97.66 128.5 48.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.635 -0.712 . . . . 10.0 110.727 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -101.89 -171.87 2.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.052 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.503 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 11.1 pttp -78.93 160.46 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.456 0.17 . . . . 10.0 110.805 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 71.6 6.01 5.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.641 0.608 . . . . 10.0 112.641 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.9 m -72.42 141.93 48.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.92 0.391 . . . . 10.0 110.775 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.4 m -107.92 118.13 35.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.647 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.423 HD22 HD11 ' B' ' 50' ' ' LEU . 61.3 mt -96.35 135.74 37.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.967 -0.56 . . . . 10.0 109.566 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -89.86 115.45 27.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.892 -0.41 . . . . 10.0 109.892 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.536 HD23 HG22 ' B' ' 7' ' ' THR . 60.1 tp -96.98 107.98 20.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.122 0.487 . . . . 10.0 111.86 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.736 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 41.8 t -95.1 132.41 39.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.411 HD22 ' SD ' ' A' ' 122' ' ' MET . 46.1 tp -79.78 112.92 17.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.886 0.375 . . . . 10.0 111.753 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.607 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 7.0 ttp180 . . . . . 0 C--N 1.322 -0.602 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.656 0.265 . . . . 10.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -31.42 67.36 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 46.1 ttm -53.14 -47.23 68.89 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.44 -0.346 . . . . 10.0 111.832 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -74.49 -39.47 62.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.611 -0.268 . . . . 10.0 110.579 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.8 t -55.81 -47.13 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.15 -41.98 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 10.0 110.543 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -43.28 85.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.106 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.828 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.0 mt-10 -63.95 -36.13 82.95 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.605 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.44 -47.37 86.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.936 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -60.48 -39.7 88.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.768 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -56.53 -52.08 66.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.2 0.524 . . . . 10.0 110.814 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -76.81 -21.84 54.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.518 -0.765 . . . . 10.0 112.734 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -78.76 -36.04 43.63 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.643 -0.423 . . . . 10.0 110.949 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -78.24 -36.88 46.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.44 0.638 . . . . 10.0 110.074 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -127.07 81.24 70.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.005 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 1.2 Cg_endo -85.07 126.6 3.3 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.13 2.553 . . . . 10.0 112.127 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 32.5 Cg_exo -61.61 146.49 96.81 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.402 2.068 . . . . 10.0 110.462 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 51.3 Cg_exo -55.2 -25.22 45.32 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.753 2.302 . . . . 10.0 113.236 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -94.13 4.78 53.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.462 HD21 HD13 ' A' ' 24' ' ' LEU . 24.4 tp -124.72 102.01 7.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -108.33 136.85 47.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 63.3 t30 56.88 74.69 0.4 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.939 -1.028 . . . . 10.0 113.239 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 36' ' ' ALA . 7.1 tp -95.74 97.08 9.42 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.997 -0.742 . . . . 10.0 108.997 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -122.72 143.39 49.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.056 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.13 162.27 28.65 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.618 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 20.7 t70 -64.72 149.69 48.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.909 0.385 . . . . 10.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.05 -39.2 71.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.561 -0.745 . . . . 10.0 112.466 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.81 -38.63 6.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.175 0.806 . . . . 10.0 113.175 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.618 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 16.0 t-20 -109.03 130.05 55.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -82.5 -14.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.747 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.61 -3.62 57.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.441 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.432 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 49.0 t -114.28 119.67 61.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.785 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 45.8 m0 -106.57 140.94 38.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.822 0.344 . . . . 10.0 111.198 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -122.22 121.62 37.25 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HB3' HD11 ' A' ' 52' ' ' LEU . . . -149.24 164.81 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.759 0.314 . . . . 10.0 111.524 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.6 mt -111.11 121.71 46.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.517 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.519 ' HB2' HD23 ' A' ' 52' ' ' LEU . 28.0 tp -87.81 134.88 33.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mp -118.65 86.86 30.51 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.627 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.31 151.05 59.81 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.456 2.104 . . . . 10.0 110.353 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.01 -1.92 25.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.851 0.358 . . . . 10.0 111.647 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.455 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 20.9 tp60 -86.78 131.71 44.45 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.522 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 22.6 Cg_exo -67.68 143.74 63.19 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.603 2.202 . . . . 10.0 110.831 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 63.3 Cg_endo -97.73 10.96 34.67 Favored 'Cis proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.757 -1.351 . . . . 10.0 112.393 0.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -62.2 -24.16 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.457 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -4.25 13.1 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.136 0.791 . . . . 10.0 113.136 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -86.34 -19.98 29.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.145 0.424 . . . . 10.0 112.145 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -139.34 -171.4 3.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.73 0.3 . . . . 10.0 110.796 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.6 155.82 41.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.778 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -125.91 127.98 46.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.781 0.324 . . . . 10.0 111.243 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -81.43 131.32 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.471 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.519 HD23 ' HB2' ' A' ' 38' ' ' LEU . 1.9 pp -114.39 150.04 35.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.898 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -118.06 107.91 14.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.108 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.785 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 65.0 mt -92.94 119.39 40.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.684 -0.488 . . . . 10.0 109.684 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.62 109.63 19.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.954 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -87.86 125.85 63.32 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.639 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 73.7 Cg_endo -76.54 152.52 33.84 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.332 2.021 . . . . 10.0 111.239 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.15 -14.75 46.85 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.613 2.209 . . . . 10.0 111.754 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -91.91 14.29 16.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.008 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.54 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 15.4 t80 -66.46 144.58 98.73 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.54 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 94.4 Cg_endo -98.25 26.74 18.03 Favored 'Cis proline' 0 N--CA 1.458 -0.568 0 C-N-CA 124.281 -1.133 . . . . 10.0 112.731 0.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -78.9 -22.85 45.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.401 0.62 . . . . 10.0 109.699 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -116.74 140.08 26.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.311 -0.859 . . . . 10.0 109.972 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.426 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 45.0 Cg_endo -68.16 143.14 58.14 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.86 2.373 . . . . 10.0 113.081 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.5 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 56.1 Cg_endo -72.41 143.29 38.55 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.704 2.269 . . . . 10.0 111.617 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.0 mtm -92.23 99.29 12.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.782 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.587 HG12 HG23 ' A' ' 54' ' ' ILE . 54.7 mt -104.04 126.08 58.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.002 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.492 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 12.5 ptmt -138.42 169.69 17.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.42 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -98.21 127.8 44.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.723 0.297 . . . . 10.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.6 -28.25 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.441 HG21 ' HA2' ' A' ' 147' ' ' GLY . 15.8 m -93.85 131.91 38.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.374 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -66.88 115.41 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 10.0 111.194 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 tt -117.32 127.82 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.893 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.02 77.71 6.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -123.1 135.17 25.63 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.759 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 18.9 Cg_endo -60.67 -6.34 5.66 Favored 'Trans proline' 0 N--CA 1.478 0.559 0 C-N-CA 123.169 2.579 . . . . 10.0 114.195 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -117.24 15.7 14.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.869 0.366 . . . . 10.0 110.605 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.05 140.33 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.92 179.45 5.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.602 0.239 . . . . 10.0 111.516 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -63.16 -30.61 71.73 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -76.16 -29.65 57.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 10.0 111.036 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.48 24.12 6.91 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.458 -0.657 . . . . 10.0 111.458 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -86.64 150.83 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.194 -0.299 . . . . 10.0 110.194 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pt -137.28 148.47 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.89 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 103.74 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.151 -0.477 . . . . 99.989999999999995 111.015 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.504 ' HB3' HG22 ' A' ' 88' ' ' ILE . 8.5 mp -107.97 122.43 40.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.724 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 13.6 Cg_exo -70.24 3.7 2.84 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.145 2.563 . . . . 10.0 113.052 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.504 HG22 ' HB3' ' A' ' 86' ' ' LEU . 20.7 tt -96.47 -20.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.983 0.421 . . . . 10.0 110.361 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 64' ' ' PRO . 19.7 pt -126.45 25.02 2.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.416 0.626 . . . . 10.0 110.149 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.3 p -79.69 162.55 25.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.923 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -71.66 -23.53 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.266 0.555 . . . . 10.0 110.238 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -83.77 -45.53 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.855 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -119.29 107.69 13.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -153.52 135.5 14.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.284 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 17.2 mtpt -133.28 121.69 16.71 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.635 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 30.5 Cg_exo -64.2 -14.03 41.37 Favored 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 123.192 2.595 . . . . 10.0 112.363 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -74.88 -17.09 60.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.111 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.35 144.31 30.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.646 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.828 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 59.9 mtpt -108.2 171.31 7.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.218 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -59.45 -31.28 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.472 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -50.9 69.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.876 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -68.6 -31.69 71.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.796 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.47 -45.36 89.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.69 -34.3 77.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.666 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 109' ' ' VAL . 3.8 tt0 -63.91 -47.61 79.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.98 -38.15 81.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.284 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 111' ' ' VAL . 49.0 tp -62.99 -46.37 88.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.492 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -58.86 -40.41 84.21 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.081 0.467 . . . . 10.0 110.297 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 105' ' ' GLU . 61.2 t -63.75 -45.64 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.281 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.57 -30.46 71.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.611 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 107' ' ' LEU . 73.2 t -74.83 -49.44 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.01 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -71.3 -32.89 69.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.303 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' A' ' 113' ' ' ARG . 17.6 mmm180 -117.5 91.04 36.83 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.01 121.2 7.84 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.966 2.444 . . . . 10.0 111.897 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -76.88 111.84 12.84 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.2 pt -89.8 -14.95 8.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.651 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -85.3 -30.97 23.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.355 0.598 . . . . 10.0 109.766 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -132.17 66.6 77.73 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.2 -0.909 . . . . 10.0 109.707 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -97.19 174.61 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.955 2.437 . . . . 10.0 112.526 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.15 -15.9 14.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.373 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.569 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 14.4 mtp180 -127.39 105.71 8.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.51 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 92.5 mtp -69.31 -25.61 64.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.778 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.569 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 18.6 p-10 -68.5 -40.78 80.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.474 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.651 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.6 mp -84.57 -35.24 22.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.546 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.61 83.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 10.0 111.195 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 2.5 t0 -63.28 -43.55 97.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.157 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.46 -45.72 84.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.56 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.23 -34.32 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.012 0.434 . . . . 10.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.2 m -71.03 -34.95 71.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 47.1 mm-40 -82.31 -57.27 3.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.786 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -141.63 104.02 5.88 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.836 0.35 . . . . 10.0 111.163 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.98 -32.46 65.24 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.083 2.522 . . . . 10.0 112.093 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.523 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 37.0 tp10 -68.36 -44.03 76.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.552 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 27.5 tp -62.85 -38.93 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.184 0.516 . . . . 10.0 109.92 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.651 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 73.5 t80 -66.76 -42.78 85.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.505 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.3 ttp85 -59.87 -40.56 89.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.347 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.523 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 65.2 mttm -55.85 -57.21 13.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.84 0.353 . . . . 10.0 111.486 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -64.14 -41.52 97.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.629 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.62 81.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.773 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.75 -48.21 75.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.322 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.17 -40.4 89.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.912 0.387 . . . . 10.0 110.059 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -62.99 -45.01 94.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.215 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 31.0 m -64.48 -45.33 87.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.266 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 65.7 mt -79.81 15.89 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.722 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -127.14 -56.9 1.33 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.884 0.373 . . . . 10.0 111.256 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -89.46 -33.69 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.563 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.441 ' HA2' HG21 ' A' ' 71' ' ' THR . . . -63.73 153.6 46.96 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.96 -0.564 . . . . 10.0 113.434 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 15.0 t -83.61 147.54 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -55.98 137.41 50.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.612 0.244 . . . . 10.0 111.472 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.582 -179.505 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.0 ptt? . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.651 0.262 . . . . 10.0 110.436 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -86.39 130.93 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.015 0.436 . . . . 10.0 111.38 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 pt -131.23 168.4 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' B' ' 66' ' ' THR . 94.7 m-85 -119.76 131.97 55.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.708 0.29 . . . . 10.0 111.341 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -113.64 114.85 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -103.82 120.47 41.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 10.0 111.364 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.517 HG22 HD23 ' B' ' 69' ' ' LEU . 23.8 p -80.43 177.57 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.573 HD11 HG13 ' B' ' 70' ' ' VAL . 74.5 mt -74.68 -10.69 59.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.919 0.39 . . . . 10.0 111.424 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.402 HG21 ' H ' ' A' ' 123' ' ' ASP . 0.2 OUTLIER -98.09 2.75 49.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.08 0.467 . . . . 10.0 111.072 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.44 -12.39 68.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 10.0 113.107 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -67.82 108.27 2.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -98.28 119.39 36.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.698 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 pt -105.48 151.17 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.385 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.54 120.39 32.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.819 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' B' ' 29' ' ' LYS . 17.0 tp -121.2 147.39 45.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.85 0.357 . . . . 10.0 110.574 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -122.25 115.82 23.04 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.128 0.489 . . . . 10.0 111.309 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' B' ' 1' ' ' MET . 0.2 OUTLIER -146.1 160.42 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.577 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 58.6 mm-40 -106.34 160.16 27.19 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.484 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 50.9 Cg_exo -56.09 -25.89 56.9 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.55 2.167 . . . . 10.0 112.573 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.52 -6.27 58.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.951 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.5 m-20 -77.05 143.21 39.46 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.81 0.338 . . . . 10.0 111.091 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 21.7 p -86.83 156.12 20.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.104 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.45 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 50.8 mm -61.43 -34.92 63.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.905 0.383 . . . . 10.0 110.099 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.67 -41.31 97.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.164 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -69.19 -34.92 75.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.108 0.48 . . . . 10.0 109.982 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.482 HG22 HG11 ' B' ' 17' ' ' VAL . 79.4 t -61.26 -44.47 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.45 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.94 -39.48 89.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.573 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.78 86.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.633 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.518 ' HB3' HD11 ' B' ' 15' ' ' LEU . 73.2 mttt -67.87 -38.32 82.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.567 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.04 -38.12 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 10.0 109.84 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -67.41 -32.66 73.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.182 0.515 . . . . 10.0 110.116 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.33 -52.34 58.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.677 -0.692 . . . . 10.0 112.085 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -45.1 19.3 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -87.49 -75.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.736 0.303 . . . . 10.0 111.071 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.24 -13.87 3.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.648 -0.787 . . . . 10.0 111.969 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 50.1 mt -57.53 123.21 60.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.264 . . . . 10.0 110.488 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.0 Cg_exo -57.74 136.53 76.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.958 2.438 . . . . 10.0 111.622 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.1 Cg_exo -56.58 -27.08 67.77 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.188 2.592 . . . . 10.0 111.751 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.91 -26.84 65.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.51 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.643 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 43.7 mt-30 -102.09 12.7 36.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.381 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 74.0 mt-30 -99.93 104.5 16.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.084 0.401 . . . . 10.0 112.084 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.663 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 31.7 ttt180 -105.33 90.68 3.5 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 178.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' B' ' 50' ' ' LEU . 47.7 mt -82.68 125.42 31.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.705 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.42 ' CD1' ' HG2' ' B' ' 49' ' ' GLN . 29.6 mm -115.59 134.53 58.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.422 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.666 ' HB3' HD21 ' B' ' 50' ' ' LEU . 90.7 t80 -151.89 134.67 15.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.86 27.82 17.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.056 0.455 . . . . 10.0 111.592 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.32 -2.1 83.02 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.771 -0.65 . . . . 10.0 113.694 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -119.75 160.92 21.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.991 0.424 . . . . 10.0 111.827 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.42 ' HG2' ' CD1' ' B' ' 44' ' ' ILE . 22.6 mt-30 -84.58 136.99 33.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.746 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' B' ' 45' ' ' PHE . 71.1 mt -79.64 112.76 17.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.08 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -76.27 130.39 38.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.898 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.45 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.3 m-20 -53.33 -40.26 64.73 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.164 0.801 . . . . 10.0 113.164 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.93 19.19 7.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.907 -0.663 . . . . 10.0 113.987 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.441 ' HD3' ' CG ' ' B' ' 58' ' ' ASP . 5.8 mmp_? -123.41 168.93 11.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.249 0.524 . . . . 10.0 110.552 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 20.4 p -108.96 173.94 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.484 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 52.1 mt -65.59 -31.38 72.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 10.0 111.228 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -22.21 63.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.313 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.441 ' CG ' ' HD3' ' B' ' 54' ' ' ARG . 6.0 m-20 -64.47 -29.65 70.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -110.47 8.51 23.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.127 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 57.44 43.92 22.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.407 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -76.23 120.2 25.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.908 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -102.42 -172.39 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.271 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -74.3 155.1 38.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.603 0.24 . . . . 10.0 111.334 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 63.64 21.99 12.95 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.698 0.629 . . . . 10.0 112.698 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.3 m -86.84 139.8 30.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.676 -0.238 . . . . 10.0 110.425 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 8.9 m -100.67 119.96 39.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.866 0.365 . . . . 10.0 111.249 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 73.1 mt -97.28 139.87 32.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -94.2 112.37 24.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.106 -0.331 . . . . 10.0 110.106 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.517 HD23 HG22 ' B' ' 7' ' ' THR . 56.5 tp -95.77 105.18 17.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.07 0.462 . . . . 10.0 111.585 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.663 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 61.3 t -93.67 123.8 45.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.21 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mp -76.3 108.3 9.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.783 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.643 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 13.2 ttp85 . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.105 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.477 0.18 . . . . 10.0 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -39.64 49.33 Favored 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.3 mtm -53.17 -54.7 31.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.732 0.301 . . . . 10.0 111.779 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -71.62 -37.2 70.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.615 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.0 t -57.61 -48.57 82.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.782 0.325 . . . . 10.0 110.433 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.83 -36.12 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 10.0 110.307 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.46 -46.29 83.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.538 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.54 -34.08 73.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.19 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.64 -45.92 91.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -63.04 -43.74 97.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.672 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -54.68 -53.92 48.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.56 -25.61 61.42 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.103 0.779 . . . . 10.0 113.103 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -79.15 -32.7 44.44 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.696 -0.402 . . . . 10.0 111.019 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -74.57 -38.88 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -128.4 81.25 70.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.523 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 6.7 Cg_exo -74.66 134.8 18.9 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.987 2.458 . . . . 10.0 112.366 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 27.2 Cg_exo -64.3 145.98 89.34 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.609 2.206 . . . . 10.0 110.744 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.6 Cg_exo -61.27 -14.99 37.36 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.795 2.33 . . . . 10.0 112.814 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -108.29 11.32 27.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.494 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 18' ' ' PRO . 17.2 tp -132.81 124.1 27.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.674 0.273 . . . . 10.0 110.586 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -133.52 163.17 30.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.617 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.9 t30 57.64 31.8 20.92 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.796 -0.638 . . . . 10.0 112.343 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 25.3 tp -69.63 104.87 2.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.946 0.403 . . . . 10.0 110.821 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.99 164.67 27.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.273 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 p -87.9 161.09 17.67 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 12.1 t70 -63.49 145.33 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -52.69 -40.59 63.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.486 0.551 . . . . 10.0 112.486 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.86 -31.71 6.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.712 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 19.7 t-20 -100.32 121.95 42.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.269 0.557 . . . . 10.0 112.294 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.19 -15.2 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.726 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.4 mt -93.47 10.52 32.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.424 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.9 t -126.96 125.99 67.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.805 0.336 . . . . 10.0 110.382 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.63 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 48.7 m0 -103.95 144.29 31.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.959 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -126.27 115.57 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.093 -1.077 . . . . 10.0 108.093 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 24' ' ' LEU . . . -145.73 169.7 17.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 10.0 112.046 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -113.39 129.46 56.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.378 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.529 ' HB2' HD23 ' A' ' 52' ' ' LEU . 28.1 tp -94.35 132.45 38.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -112.52 90.36 14.51 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.731 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 16.9 Cg_exo -68.59 146.88 68.95 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.407 2.071 . . . . 10.0 111.622 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -99.53 -28.44 13.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.706 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -72.81 129.64 86.44 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.92 150.79 67.74 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.739 2.293 . . . . 10.0 110.919 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -92.64 15.41 46.13 Favored 'Cis proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.962 -1.266 . . . . 10.0 112.255 -0.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -70.29 -9.91 57.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.574 0.702 . . . . 10.0 110.268 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -78.34 -11.31 59.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.827 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.92 -39.49 66.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 51.7 mmtt -132.66 -160.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.57 -0.286 . . . . 10.0 110.571 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -132.5 168.03 18.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -131.39 143.65 50.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.596 0.236 . . . . 10.0 110.666 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -93.5 135.47 34.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.739 0.304 . . . . 10.0 110.794 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.529 HD23 ' HB2' ' A' ' 38' ' ' LEU . 2.7 pp -122.38 151.36 41.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.104 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -122.88 112.96 18.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.235 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.675 HG23 HG12 ' A' ' 67' ' ' ILE . 54.1 mt -99.53 112.78 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -108.35 120.46 42.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.918 0.39 . . . . 10.0 111.019 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -93.54 128.53 41.84 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.787 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.81 155.29 53.74 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.442 2.095 . . . . 10.0 111.045 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.24 12.52 0.62 Allowed 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.797 2.331 . . . . 10.0 112.061 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -120.42 17.67 12.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.559 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.476 ' CG ' ' HA ' ' A' ' 61' ' ' PRO . 6.5 t80 -67.95 144.06 96.83 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.196 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.476 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . 65.4 Cg_endo -97.37 25.01 21.51 Favored 'Cis proline' 0 C--N 1.347 0.49 0 C-N-CA 124.017 -1.243 . . . . 10.0 112.895 0.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -73.61 -29.23 62.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.204 0.526 . . . . 10.0 109.961 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -110.11 142.9 26.9 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.996 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.04 144.0 62.1 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.882 2.388 . . . . 10.0 113.467 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.25 133.62 16.45 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.683 2.255 . . . . 10.0 111.01 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.3 mtm -87.32 107.79 18.67 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.029 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.675 HG12 HG23 ' A' ' 54' ' ' ILE . 40.5 mt -108.25 118.35 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.122 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.466 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 9.2 ptmm? -128.68 159.36 35.87 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -85.97 140.85 29.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.772 0.32 . . . . 10.0 110.51 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.87 4.51 45.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.385 0.612 . . . . 10.0 109.723 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.34 155.99 48.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.571 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.551 ' HB3' ' HE2' ' A' ' 142' ' ' PHE . 32.8 mtpt -82.98 104.04 12.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.961 0.41 . . . . 10.0 111.453 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.1 tt -104.35 124.01 58.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.699 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -78.2 74.53 4.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.425 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -123.32 132.71 24.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.123 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 19.6 Cg_endo -58.0 -20.83 47.01 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.18 2.587 . . . . 10.0 114.179 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 119' ' ' PRO . 13.5 m120 -107.5 18.25 21.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.752 0.311 . . . . 10.0 111.49 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.514 HG22 HG22 ' A' ' 84' ' ' ILE . 67.6 t -133.3 140.25 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.651 ' HB3' ' HB2' ' A' ' 83' ' ' GLN . 12.7 t70 -88.44 157.95 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.189 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.45 -24.06 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -83.94 -1.36 54.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.327 0.584 . . . . 10.0 110.197 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.89 19.38 43.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.982 -0.627 . . . . 10.0 111.608 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.651 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 10.3 mm100 -85.57 145.55 27.31 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.514 HG22 HG22 ' A' ' 78' ' ' VAL . 24.2 pt -134.59 176.23 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.574 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.533 ' HB2' HD11 ' A' ' 120' ' ' LEU . 1.3 m -137.85 102.93 4.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.621 -0.718 . . . . 99.989999999999995 109.121 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.56 ' HB3' HG12 ' A' ' 89' ' ' ILE . 3.3 tp -118.37 116.77 35.16 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.846 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 24.3 Cg_exo -64.9 -0.26 3.08 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.197 2.598 . . . . 10.0 113.301 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -95.04 -25.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.726 0.298 . . . . 10.0 111.234 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.56 HG12 ' HB3' ' A' ' 86' ' ' LEU . 8.8 pt -104.6 -27.43 3.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.982 -0.287 . . . . 10.0 111.367 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.8 p -51.95 142.36 15.81 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.367 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -7.58 1.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -71.96 -28.23 63.3 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.344 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -153.63 41.3 0.53 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.058 0.456 . . . . 10.0 111.634 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -83.27 127.99 34.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.041 0.448 . . . . 10.0 111.455 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -122.24 122.59 27.45 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.466 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.88 -18.09 47.54 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.301 2.668 . . . . 10.0 113.424 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.4 p -78.34 -12.03 59.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 10.0 111.301 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -80.43 134.52 36.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.591 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -90.48 161.47 15.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.416 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -64.89 -27.76 69.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.157 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.74 -37.5 86.83 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.166 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -70.9 -35.67 72.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.818 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.91 -46.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.856 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.476 HD21 HD11 ' A' ' 54' ' ' ILE . 80.7 mt -62.37 -33.22 74.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.485 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 109' ' ' VAL . 32.2 tt0 -65.66 -49.71 67.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.672 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.15 -39.49 90.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.983 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.99 -48.79 80.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.906 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -57.44 -39.95 77.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.659 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 105' ' ' GLU . 90.8 t -63.78 -48.4 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.187 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.52 -31.99 73.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 10.0 112.007 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.7 t -72.21 -48.24 49.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.691 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -73.81 -31.38 63.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.983 0.42 . . . . 10.0 111.682 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -119.54 95.39 49.21 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.11 122.4 9.48 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.977 2.451 . . . . 10.0 113.265 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -79.25 92.29 5.1 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.7 pt -72.96 -10.68 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 10.0 112.002 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -74.64 -42.47 58.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -134.99 77.34 56.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.951 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.413 ' HA ' ' ND2' ' A' ' 77' ' ' ASN . 63.1 Cg_endo -97.15 177.89 0.5 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.284 2.656 . . . . 10.0 112.433 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.8 mp -100.87 -43.29 6.13 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.402 ' HD3' HD22 ' A' ' 124' ' ' LEU . 9.5 mtp180 -101.75 103.63 14.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.196 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.7 mtp -56.75 -44.63 81.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.996 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -57.49 -48.33 79.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.504 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.541 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 6.6 mp -64.83 -39.83 94.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.618 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.66 74.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.966 0.412 . . . . 10.0 110.571 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 9.0 t0 -60.11 -53.05 62.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.615 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.576 HD11 HD23 ' A' ' 134' ' ' LEU . 12.9 tp -55.64 -45.47 77.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.224 -0.898 . . . . 10.0 112.048 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.401 HD13 ' CD2' ' A' ' 135' ' ' PHE . 67.4 tp -62.4 -31.96 72.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 10.0 111.628 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.9 m -79.76 -26.47 40.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.056 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 22.0 mm-40 -87.44 -51.66 5.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.244 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -140.77 106.63 6.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.724 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.13 -35.78 51.15 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.688 2.259 . . . . 10.0 112.103 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.484 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 38.4 tp10 -68.78 -39.37 80.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.177 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.576 HD23 HD11 ' A' ' 127' ' ' LEU . 12.7 tp -62.65 -42.69 99.75 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.95 0.405 . . . . 10.0 110.356 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.541 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 88.7 t80 -70.29 -39.12 75.06 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -58.6 -48.25 81.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.833 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.484 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 64.6 mttm -58.42 -43.31 88.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.995 0.426 . . . . 10.0 110.796 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -66.25 -50.43 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.64 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.84 91.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.82 -50.43 73.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 10.0 109.972 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -56.72 -46.19 81.43 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.395 -0.82 . . . . 10.0 110.544 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.551 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -66.35 -40.87 90.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.119 -179.281 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.516 HG22 ' HB2' ' A' ' 48' ' ' LYS . 27.3 m -63.89 -35.92 82.22 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.292 0.568 . . . . 10.0 111.097 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.0 mt -90.6 10.62 24.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.826 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -119.36 -49.1 2.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.269 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -121.91 33.74 5.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.96 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -112.72 151.77 18.1 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.148 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.523 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 10.5 t -80.84 156.65 4.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.47 150.65 26.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.796 0.331 . . . . 10.0 111.679 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.498 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 10.9 tpt180 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.015 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -97.27 128.77 44.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.515 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -130.74 165.97 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' B' ' 66' ' ' THR . 98.6 m-85 -122.9 130.7 53.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.737 0.303 . . . . 10.0 110.853 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 t -115.08 111.61 36.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -101.4 128.43 47.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.925 0.393 . . . . 10.0 110.915 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.412 HG22 HD23 ' B' ' 69' ' ' LEU . 21.5 p -94.22 175.57 6.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.278 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.658 HD11 HG13 ' B' ' 70' ' ' VAL . 91.6 mt -73.55 -8.34 55.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.806 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.9 p -97.28 2.73 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.035 0.445 . . . . 10.0 111.06 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.28 -9.87 71.26 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.974 -0.631 . . . . 10.0 112.171 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -70.73 102.96 2.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.066 0.46 . . . . 10.0 110.091 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -96.7 110.4 22.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.023 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 27.2 pt -104.58 140.46 22.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.17 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 146.37 28.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' B' ' 29' ' ' LYS . 14.9 tp -136.19 133.5 37.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.147 0.499 . . . . 10.0 111.5 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -100.3 103.33 14.75 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.311 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.5 m -140.05 156.05 24.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.752 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.1 mm-40 -104.3 162.75 18.94 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.16 -26.15 58.91 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.089 1.86 . . . . 10.0 111.227 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.47 -10.99 59.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.343 -0.844 . . . . 10.0 112.108 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.6 OUTLIER -68.55 130.76 43.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.994 0.426 . . . . 10.0 111.093 -179.425 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.0 OUTLIER -80.04 152.38 29.43 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.746 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.566 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 41.0 mm -56.72 -36.58 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.989 0.423 . . . . 10.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.467 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 1.4 tt0 -61.53 -41.68 97.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.196 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.17 -34.76 78.23 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.081 0.467 . . . . 10.0 109.858 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.05 -45.16 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.219 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.45 -37.1 85.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.936 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.95 98.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.415 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.436 ' HB3' HD11 ' B' ' 15' ' ' LEU . 99.0 mttt -66.91 -35.24 79.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.818 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.54 -40.16 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -67.04 -26.63 66.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.3 0.572 . . . . 10.0 109.705 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.18 -45.48 73.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -85.85 -54.76 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.007 0.743 . . . . 10.0 113.007 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -79.23 -55.33 5.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.069 0.461 . . . . 10.0 111.746 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.22 -6.12 15.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.279 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 40.8 mt -66.57 121.74 78.65 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 38.7 Cg_exo -62.17 140.72 85.11 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.568 2.179 . . . . 10.0 111.265 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.5 Cg_exo -55.45 -23.21 37.73 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.189 2.593 . . . . 10.0 112.437 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.93 -32.24 73.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.989 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.58 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 50.4 mt-30 -99.82 3.41 44.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.201 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -91.28 97.56 11.19 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.103 0.408 . . . . 10.0 112.103 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.435 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 30.5 ttt180 -98.1 88.8 4.31 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.703 ' HB3' HD12 ' B' ' 50' ' ' LEU . 39.6 mt -80.71 120.98 25.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.996 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.54 129.32 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.598 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.588 ' HB3' HD21 ' B' ' 50' ' ' LEU . 61.8 t80 -131.15 120.87 23.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.933 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.04 19.17 5.73 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.12 0.785 . . . . 10.0 113.12 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.57 -4.7 50.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.027 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -110.45 149.28 30.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 10.0 111.222 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -84.65 130.32 34.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.605 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' B' ' 43' ' ' LEU . 79.2 mt -79.54 109.58 14.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.116 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -79.03 130.12 35.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.2 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.566 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 17.7 m-20 -53.0 -34.3 55.64 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.16 -13.69 82.52 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.858 -0.687 . . . . 10.0 114.18 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.408 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 3.1 mmp_? -97.55 163.8 12.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.299 0.549 . . . . 10.0 111.401 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 76.6 p -102.34 177.79 4.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 mt -69.25 -32.62 71.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.998 0.427 . . . . 10.0 110.225 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -14.85 63.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.38 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.5 m-20 -70.45 -27.73 64.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.652 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -112.35 10.54 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.182 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.2 t30 59.72 41.55 18.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.407 0.622 . . . . 10.0 111.175 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.4 mt -75.58 122.68 29.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.833 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -104.39 -173.9 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.916 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 151.84 41.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.347 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 66.22 16.85 10.58 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.116 0.784 . . . . 10.0 113.116 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.5 m -77.87 139.61 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.245 -0.28 . . . . 10.0 110.245 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.1 m -102.84 116.75 33.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.138 0.494 . . . . 10.0 111.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 49.5 mt -94.28 150.39 20.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.095 -0.706 . . . . 10.0 109.095 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -105.33 114.82 29.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.412 HD23 HG22 ' B' ' 7' ' ' THR . 46.7 tp -96.68 108.15 20.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.032 0.444 . . . . 10.0 111.259 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.658 HG13 HD11 ' B' ' 8' ' ' LEU . 11.1 t -97.62 130.05 46.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.314 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 33.2 tp -76.58 140.67 41.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.58 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 29.9 ttp85 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.572 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.402 ' HB1' ' HB3' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.805 0.336 . . . . 10.0 110.988 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -25.18 65.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 10.0 112.003 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.6 ttt -53.49 -46.31 69.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.567 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.409 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 12.2 ttp180 -79.11 -36.86 40.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.894 -0.323 . . . . 10.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -55.3 -47.86 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.537 . . . . 10.0 111.424 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.29 -41.01 89.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.909 0.385 . . . . 10.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -66.53 -43.87 83.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.057 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.94 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.503 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 44.0 tp -59.61 -50.96 71.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.94 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.534 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 12.6 tt0 -57.41 -48.05 80.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.347 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.38 -43.61 93.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.687 HD21 ' HB3' ' A' ' 101' ' ' CYS . 28.1 mt -67.67 -25.43 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.517 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -79.25 -17.06 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 10.0 110.498 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.534 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 76.9 mttt -81.15 -48.37 12.22 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -124.41 73.77 60.29 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.92 130.45 8.52 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.661 2.241 . . . . 10.0 111.178 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.84 149.82 81.29 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.615 2.21 . . . . 10.0 111.095 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.48 -27.86 51.74 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 123.014 2.476 . . . . 10.0 113.611 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -88.78 2.28 53.77 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 tp -123.89 113.41 18.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 10.0 110.185 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -122.88 158.14 30.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.437 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 56.6 32.91 21.81 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.945 0.72 . . . . 10.0 112.945 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.8 tp -65.47 109.19 2.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.119 0.485 . . . . 10.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -147.11 168.4 21.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.783 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 p -96.08 160.47 14.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.246 -0.434 . . . . 10.0 109.907 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.457 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 11.1 t70 -63.88 146.3 54.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.96 -18.53 64.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.361 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.55 -1.88 11.59 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.046 0.758 . . . . 10.0 113.046 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -157.54 130.99 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 10.0 111.323 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -79.86 -17.97 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -82.89 3.88 27.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 10.0 111.783 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 61.4 t -121.98 121.54 64.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.804 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 44.5 m0 -105.07 146.0 29.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.196 0.522 . . . . 10.0 111.942 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -124.29 121.67 35.65 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.908 -1.145 . . . . 10.0 107.908 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.32 155.86 40.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.954 0.406 . . . . 10.0 111.719 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.3 mt -106.51 122.16 45.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.869 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.2 tp -93.03 131.9 37.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.6 mp -113.0 94.37 29.55 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HB2' ' HB2' ' A' ' 45' ' ' TYR . 11.2 Cg_exo -72.12 150.31 53.72 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.675 2.25 . . . . 10.0 111.33 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -97.9 -36.19 10.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.904 0.383 . . . . 10.0 111.266 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.8 tp-100 -60.95 128.79 89.64 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.143 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 16.0 Cg_exo -69.57 148.73 66.94 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.658 2.239 . . . . 10.0 110.998 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -96.33 23.46 25.15 Favored 'Cis proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.719 -1.367 . . . . 10.0 112.279 0.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 40' ' ' PRO . 46.2 m-85 -69.8 -9.02 53.08 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.409 0.623 . . . . 10.0 110.291 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -74.32 -15.5 60.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.417 -0.811 . . . . 10.0 110.676 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.427 HD11 ' HG3' ' A' ' 140' ' ' GLU . 81.5 mt -65.38 -44.86 86.24 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.686 0.624 . . . . 10.0 112.686 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 71.3 mmtt -132.26 -162.78 1.26 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.852 0.358 . . . . 10.0 111.322 -178.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.49 167.94 15.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.405 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -132.52 132.87 43.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 10.0 111.05 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -88.75 131.61 34.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.566 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 pp -118.13 150.59 39.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.091 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -116.0 114.78 25.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.804 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 52.5 mt -98.96 108.66 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -104.19 111.87 24.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.917 0.389 . . . . 10.0 110.877 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -84.78 133.74 43.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.699 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.622 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 84.1 Cg_endo -79.84 154.5 23.14 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.664 2.242 . . . . 10.0 111.193 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -63.17 -15.06 45.66 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.701 2.267 . . . . 10.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.733 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 20.1 mp0 -93.94 8.9 39.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.549 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 23.0 t80 -60.19 141.64 90.46 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 65.1 Cg_endo -97.2 27.87 17.25 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 124.315 -1.119 . . . . 10.0 113.217 0.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -85.62 -12.74 50.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.367 0.603 . . . . 10.0 109.854 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.843 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -122.96 137.03 27.5 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.23 -0.895 . . . . 10.0 109.113 179.266 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.843 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 37.9 Cg_endo -66.67 139.75 53.97 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.675 2.25 . . . . 10.0 112.689 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.622 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 57.6 Cg_endo -73.21 145.2 38.55 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.673 2.249 . . . . 10.0 111.219 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 76.2 mtm -94.66 109.75 21.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.554 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.557 HG12 HG23 ' A' ' 54' ' ' ILE . 51.4 mt -110.16 126.68 67.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.579 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -137.28 158.45 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.657 179.023 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -90.89 120.04 31.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.71 0.291 . . . . 10.0 111.589 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -66.52 -45.61 78.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.319 -0.993 . . . . 10.0 108.319 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.05 145.9 26.3 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.307 -0.861 . . . . 10.0 108.686 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -82.01 132.79 35.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.95 0.405 . . . . 10.0 111.936 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.6 tt -125.07 128.31 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.539 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -76.42 80.35 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.987 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.474 ' HB3' HG23 ' A' ' 78' ' ' VAL . 59.8 t60 -130.6 136.34 28.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.211 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.586 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 28.2 Cg_endo -62.04 -9.47 14.7 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.365 2.71 . . . . 10.0 114.034 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -113.67 18.05 17.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.9 0.381 . . . . 10.0 110.777 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 75' ' ' HIS . 48.0 t -129.24 139.7 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -82.19 169.05 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.121 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.1 -24.98 67.45 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.455 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 11.3 t30 -84.68 -39.91 18.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 10.0 111.204 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.33 18.33 1.18 Allowed Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.919 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.45 146.63 25.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 10.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.4 HG22 HG22 ' A' ' 78' ' ' VAL . 1.8 pp -132.47 158.09 43.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.438 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.572 ' HB2' HD11 ' A' ' 120' ' ' LEU . 33.5 m -115.63 101.45 8.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.063 0.459 . . . . 99.989999999999995 109.981 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' A' ' 86' ' ' LEU . 5.9 tp -107.51 111.72 62.74 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.3 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.447 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 31.8 Cg_exo -59.95 -15.95 35.96 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.215 2.61 . . . . 10.0 113.529 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 tt -75.93 -20.15 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.983 0.42 . . . . 10.0 111.161 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 pt -129.02 32.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.318 0.58 . . . . 10.0 109.554 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.3 p -83.12 161.45 21.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.11 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -68.23 -17.67 64.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.264 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -103.22 -17.53 15.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.325 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 87' ' ' PRO . 15.2 m-80 -137.55 97.57 3.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 35.4 t-105 -149.78 133.99 17.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.215 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 47.2 mtpt -131.87 123.4 19.07 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.724 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 31.4 Cg_exo -61.16 -20.01 66.04 Favored 'Trans proline' 0 N--CA 1.475 0.423 0 C-N-CA 123.127 2.551 . . . . 10.0 112.92 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -74.26 -13.31 60.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.197 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.5 m -81.78 133.59 35.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.284 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 51.6 mtpt -103.52 166.31 10.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.682 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m -58.91 -32.09 69.22 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.687 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -60.51 -32.65 71.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.934 0.397 . . . . 10.0 111.504 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -78.64 -39.37 37.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.008 0.432 . . . . 10.0 110.283 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.3 -43.94 97.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.084 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.492 HD21 HD11 ' A' ' 54' ' ' ILE . 69.2 mt -62.25 -37.11 84.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.192 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 109' ' ' VAL . 32.0 tt0 -66.43 -47.56 72.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.01 94.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.362 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.38 -46.86 88.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.375 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.27 -41.33 84.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.741 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 105' ' ' GLU . 65.8 t -65.52 -43.59 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.047 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.11 -34.73 76.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.934 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -72.69 -45.15 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.038 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.476 ' O ' ' HD3' ' A' ' 114' ' ' PRO . 48.3 m-80 -73.28 -32.76 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.984 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -106.9 97.63 18.34 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.533 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 112' ' ' ASN . 12.5 Cg_exo -70.48 108.93 2.33 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.731 2.287 . . . . 10.0 112.079 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -78.7 107.71 11.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.484 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 36.3 pt -90.45 -6.98 10.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.712 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -50.6 9.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.247 0.546 . . . . 10.0 109.789 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -126.67 74.22 75.0 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.014 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -98.11 177.66 0.43 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.165 2.577 . . . . 10.0 112.836 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 85' ' ' CYS . 10.2 mp -100.1 -26.74 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.109 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.508 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 18.2 mtp180 -121.82 103.27 8.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.189 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.426 ' HB2' HG21 ' B' ' 9' ' ' THR . 89.9 mtp -65.16 -31.38 72.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.933 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 21.7 p-10 -62.87 -47.97 81.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.079 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.12 -36.97 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.392 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.8 80.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.068 0.461 . . . . 10.0 110.522 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 17.5 t70 -65.34 -45.99 82.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.03 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.651 HD11 HD23 ' A' ' 134' ' ' LEU . 42.9 tp -57.91 -44.71 86.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.893 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.22 -30.97 70.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.514 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.3 m -84.37 -30.51 25.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.239 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 61.1 mm-40 -78.51 -49.35 13.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.781 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -145.31 99.51 4.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.196 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.47 -34.41 86.05 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.888 2.392 . . . . 10.0 111.684 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -66.3 -45.29 80.9 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.546 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.651 HD23 HD11 ' A' ' 127' ' ' LEU . 17.9 tp -61.15 -40.19 92.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.988 0.423 . . . . 10.0 110.242 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.586 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 68.3 t80 -67.24 -47.98 69.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.743 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -60.13 -41.73 93.31 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.635 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -61.05 -47.08 88.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.619 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -65.0 -47.11 78.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.645 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.2 -34.55 78.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.513 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.427 ' HG3' HD11 ' A' ' 47' ' ' LEU . 44.4 tt0 -58.47 -49.09 78.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.638 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.73 -45.2 90.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.424 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -60.67 -43.11 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.86 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.9 m -64.45 -35.9 82.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 10.0 111.147 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.0 mt -87.68 1.96 52.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.329 0.585 . . . . 10.0 110.91 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -105.63 -50.17 3.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -125.95 57.64 1.37 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.312 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -127.91 150.32 18.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.781 -0.723 . . . . 10.0 111.572 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 31.3 t -83.2 151.38 4.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -61.99 132.24 52.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.761 0.315 . . . . 10.0 110.693 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 150' ' ' ARG . 19.7 ttt180 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.921 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 121.121 0.486 . . . . 10.0 110.791 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -94.3 126.98 39.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.552 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -120.54 168.34 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.804 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.558 ' HE1' ' HG3' ' B' ' 64' ' ' GLU . 97.0 m-85 -121.23 131.92 54.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.741 0.305 . . . . 10.0 110.512 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.489 ' HB ' HG13 ' B' ' 13' ' ' ILE . 39.7 t -112.59 114.04 45.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -107.27 126.97 53.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.331 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.9 p -90.0 165.52 14.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.229 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.656 HD11 HG13 ' B' ' 70' ' ' VAL . 82.3 mt -64.77 -17.32 64.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.949 0.404 . . . . 10.0 111.083 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.426 HG21 ' HB2' ' A' ' 122' ' ' MET . 0.2 OUTLIER -86.14 -9.74 56.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.96 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.32 -28.06 14.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.477 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -55.84 118.75 4.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.741 0.305 . . . . 10.0 110.472 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -114.92 128.86 56.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.077 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.489 HG13 ' HB ' ' B' ' 5' ' ' VAL . 15.9 pt -121.78 157.45 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.918 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.27 151.34 21.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.097 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' B' ' 29' ' ' LYS . 30.7 tp -144.87 134.47 23.35 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.981 0.42 . . . . 10.0 111.62 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -96.24 108.15 20.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.96 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.416 HG13 ' HG ' ' B' ' 15' ' ' LEU . 6.7 m -135.55 165.82 29.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.653 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 22.3 mm-40 -110.74 159.07 33.76 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.8 -20.79 70.47 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.227 1.951 . . . . 10.0 111.732 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -95.93 11.48 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.858 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -83.22 133.14 35.02 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.328 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.2 153.18 28.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.692 -0.231 . . . . 10.0 110.804 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.645 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.2 mm -57.6 -39.3 68.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.531 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.45 -38.28 86.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 10.0 110.504 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -69.36 -35.51 75.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.285 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.46 -43.48 98.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.564 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.622 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 90.1 mttt -59.23 -40.69 86.7 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.992 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.629 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.567 ' HB3' HD11 ' B' ' 15' ' ' LEU . 92.1 mttt -69.32 -32.85 72.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.585 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.15 -43.24 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.252 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -65.96 -32.93 74.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.009 0.433 . . . . 10.0 110.787 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -61.25 -40.51 94.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.915 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.514 ' HE3' HD13 ' B' ' 15' ' ' LEU . 6.2 ptpt -85.94 -44.72 12.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.618 0.599 . . . . 10.0 112.618 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -87.28 -74.14 0.45 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.78 0.324 . . . . 10.0 111.183 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.9 -24.7 1.78 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.68 -0.771 . . . . 10.0 112.177 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.0 mt -57.61 119.19 30.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 C-N-CA 122.451 0.301 . . . . 10.0 111.063 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.0 Cg_exo -57.41 141.22 94.88 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.856 2.37 . . . . 10.0 111.766 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.622 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 50.0 Cg_exo -56.39 -24.33 51.49 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.433 2.756 . . . . 10.0 112.622 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.83 -33.06 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 10.0 110.623 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.14 6.94 47.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.269 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -95.26 124.53 39.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.904 0.383 . . . . 10.0 111.179 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.746 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 64.8 ttt180 -120.37 99.36 6.53 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.681 ' HB3' HD12 ' B' ' 50' ' ' LEU . 67.9 mt -86.67 122.82 31.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.663 0.616 . . . . 10.0 112.663 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 25.4 mm -117.76 130.67 72.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.762 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.676 ' HB3' HD21 ' B' ' 50' ' ' LEU . 84.7 t80 -141.47 125.84 17.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.509 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.82 22.01 12.08 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.469 0.48 . . . . 10.0 112.282 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.08 0.74 82.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.126 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -111.29 152.89 26.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.149 -0.315 . . . . 10.0 110.149 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.7 129.16 36.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.681 HD12 ' HB3' ' B' ' 43' ' ' LEU . 65.7 mt -76.43 117.08 17.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.191 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.47 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 30.2 tt0 -75.81 125.77 29.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.212 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.645 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.0 OUTLIER -52.48 -33.39 44.51 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 -179.083 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.44 -2.16 90.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.884 -0.674 . . . . 10.0 113.768 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.47 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 3.2 mmp_? -98.71 169.35 9.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.127 0.463 . . . . 10.0 111.197 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.79 160.86 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.099 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.437 HD12 ' O ' ' B' ' 18' ' ' GLU . 64.6 mt -61.19 -27.65 68.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.09 0.472 . . . . 10.0 111.66 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -68.33 -28.64 67.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.824 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.42 -42.42 95.98 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.412 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -92.65 10.03 32.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.887 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 56.5 43.29 26.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.655 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -78.22 119.09 26.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -106.17 -165.57 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.063 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -73.83 149.3 41.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.328 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.558 ' HG3' ' HE1' ' B' ' 4' ' ' PHE . 1.0 OUTLIER 67.36 17.51 10.16 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.19 0.811 . . . . 10.0 113.19 179.342 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -75.85 136.76 40.18 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.3 m -103.34 106.93 17.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.068 0.461 . . . . 10.0 111.35 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 67.9 mt -84.64 145.98 27.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.381 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.402 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 48.8 m-70 -101.6 120.9 41.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 41.1 tp -102.09 114.36 28.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.18 0.514 . . . . 10.0 112.329 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.746 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 44.8 t -102.61 143.77 14.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 48.0 tp -94.49 121.73 36.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.821 0.343 . . . . 10.0 111.35 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.484 . . . . 10.0 109.701 179.075 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.626 ' HB1' ' HB3' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.596 0.236 . . . . 10.0 111.631 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.22 -33.6 63.22 Favored 'General case' 0 N--CA 1.461 0.078 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.8 ttm -51.37 -54.9 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.705 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -70.95 -37.41 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.028 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -56.58 -48.37 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.793 0.33 . . . . 10.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.4 t -65.31 -41.35 91.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.67 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -44.08 96.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.229 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.567 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.7 mt-10 -63.47 -48.1 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.413 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.599 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 52.9 tp -60.42 -45.53 93.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.664 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.9 -51.0 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.64 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.698 ' HA ' ' HD2' ' A' ' 15' ' ' LYS . 85.9 m-20 -69.69 -37.75 76.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.745 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 101' ' ' CYS . 51.8 mt -65.47 -29.86 70.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.395 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -75.04 -25.25 58.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.049 0.452 . . . . 10.0 110.549 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.698 ' HD2' ' HA ' ' A' ' 12' ' ' ASP . 73.2 mttt -76.74 -45.14 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.278 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -127.73 75.96 77.54 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.387 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 72.4 Cg_endo -81.45 141.57 12.64 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.505 2.137 . . . . 10.0 112.353 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 26.8 Cg_exo -64.18 148.82 91.19 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 123.026 2.484 . . . . 10.0 111.381 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 32.3 Cg_exo -60.65 -23.04 74.9 Favored 'Trans proline' 0 N--CA 1.47 0.116 0 C-N-CA 122.898 2.399 . . . . 10.0 112.637 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -94.02 6.13 49.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.5 tp -137.67 113.18 9.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 10.0 110.932 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -127.38 168.35 14.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.331 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m120 59.41 36.98 23.33 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.121 -0.491 . . . . 10.0 112.055 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.91 94.99 5.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.168 0.509 . . . . 10.0 110.274 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -124.22 157.73 34.12 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.464 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.47 160.28 25.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.005 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 29.6 t70 -70.94 145.32 50.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.968 0.413 . . . . 10.0 110.706 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -25.46 67.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.641 -0.709 . . . . 10.0 112.455 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.71 -42.17 4.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.046 0.758 . . . . 10.0 113.046 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.712 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 36.3 t-20 -124.3 125.19 43.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.031 0.444 . . . . 10.0 112.16 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.91 -14.27 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.245 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.2 mt -82.79 -1.02 50.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.236 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.461 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 43.2 t -115.39 122.46 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.613 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 44.9 m0 -106.66 146.7 30.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.816 0.341 . . . . 10.0 111.341 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -126.78 118.74 25.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.053 -1.091 . . . . 10.0 108.053 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.56 156.38 45.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.02 0.438 . . . . 10.0 111.909 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.9 mt -105.51 118.16 35.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.057 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 19.7 tp -88.43 131.63 34.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.761 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -110.65 93.98 18.23 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.706 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 3.2 Cg_exo -76.94 142.03 21.82 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.492 2.128 . . . . 10.0 110.025 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.16 -20.41 17.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.047 0.451 . . . . 10.0 111.329 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 45.2 tp60 -65.88 129.18 94.24 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.045 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 19.7 Cg_exo -67.49 143.33 62.67 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.693 2.262 . . . . 10.0 110.86 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.431 ' HG3' ' O ' ' A' ' 136' ' ' ARG . 43.5 Cg_endo -97.93 14.03 32.27 Favored 'Cis proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.676 -1.385 . . . . 10.0 111.955 -0.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -61.17 -22.08 64.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.773 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -68.07 -8.49 38.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.212 0.819 . . . . 10.0 113.212 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.534 ' HB3' HD21 ' A' ' 144' ' ' LEU . 86.0 mt -75.07 -27.51 59.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.282 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 143' ' ' THR . 7.9 mmtt -138.28 -167.6 2.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.372 -0.377 . . . . 10.0 110.767 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -131.38 156.23 45.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -124.71 133.32 53.24 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.85 0.357 . . . . 10.0 111.163 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -88.14 134.12 33.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.055 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 pp -119.9 149.85 41.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.667 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.76 118.49 33.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.488 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.756 HG23 HG12 ' A' ' 67' ' ' ILE . 37.5 mt -102.9 115.21 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -108.66 112.72 25.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.935 0.397 . . . . 10.0 111.076 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -89.63 130.0 44.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.024 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 75.3 Cg_endo -80.96 148.48 17.26 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.515 2.143 . . . . 10.0 110.82 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -58.76 -21.12 54.9 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 122.501 2.134 . . . . 10.0 112.7 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.46 12.13 13.0 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.294 -0.254 . . . . 10.0 111.654 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.626 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 36.2 t80 -59.88 139.89 90.23 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.502 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 90.1 Cg_endo -100.02 28.05 14.68 Favored 'Cis proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.193 -1.17 . . . . 10.0 113.057 0.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -73.71 -24.1 59.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -118.85 140.88 29.16 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 114.996 -1.002 . . . . 10.0 108.642 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.77 139.15 36.1 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 2.272 . . . . 10.0 113.378 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.507 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 57.0 Cg_endo -73.86 128.97 12.9 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.597 2.198 . . . . 10.0 110.678 178.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.9 mtm -80.74 118.28 22.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.923 0.392 . . . . 10.0 111.287 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.756 HG12 HG23 ' A' ' 54' ' ' ILE . 52.5 mt -116.25 121.7 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.826 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -135.74 158.86 43.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.094 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -85.15 139.89 31.35 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.271 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.26 -28.52 14.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.185 0.517 . . . . 10.0 109.839 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -89.91 156.34 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.37 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -79.41 97.81 6.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.837 0.351 . . . . 10.0 111.634 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.2 tt -108.29 115.25 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.163 0.506 . . . . 10.0 111.195 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 83.6 5.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.233 0.54 . . . . 10.0 110.263 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.42 ' CD2' ' HD2' ' A' ' 76' ' ' PRO . 20.0 t-80 -123.76 137.63 29.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.804 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.496 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 19.4 Cg_endo -60.74 -5.69 4.89 Favored 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 123.329 2.686 . . . . 10.0 113.941 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.758 HD21 ' HB3' ' A' ' 115' ' ' ASN . 17.9 m120 -121.09 18.35 11.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.935 0.398 . . . . 10.0 110.415 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.422 HG22 HG22 ' A' ' 84' ' ' ILE . 59.9 t -133.58 137.48 52.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.822 -0.627 . . . . 10.0 109.465 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -85.55 167.31 15.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.325 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.1 -29.19 67.18 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 113.232 0.826 . . . . 10.0 113.232 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.425 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -82.76 -20.65 35.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.107 0.479 . . . . 10.0 110.422 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.1 17.39 10.19 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.257 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -88.19 152.3 22.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.597 0.237 . . . . 10.0 110.458 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.422 HG22 HG22 ' A' ' 78' ' ' VAL . 19.3 pt -135.15 -174.6 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.518 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.723 ' HB2' HD11 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -138.25 101.5 4.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.72 -0.673 . . . . 99.989999999999995 109.198 178.814 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.762 ' HG ' HG22 ' A' ' 88' ' ' ILE . 10.6 tp -112.65 111.78 51.5 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 121.169 0.509 . . . . 10.0 110.737 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.77 -27.56 53.03 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.33 2.687 . . . . 10.0 113.679 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.762 HG22 ' HG ' ' A' ' 86' ' ' LEU . 14.4 tt -68.73 -23.69 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.525 HG12 ' HB3' ' A' ' 86' ' ' LEU . 24.2 pt -116.87 12.29 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.928 -0.309 . . . . 10.0 111.474 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.3 p -67.45 145.6 54.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.284 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 p -61.12 -17.68 54.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.295 0.48 . . . . 10.0 112.295 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -97.34 -7.0 32.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -142.66 39.68 1.53 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 122.236 -0.29 . . . . 10.0 111.589 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -97.94 136.69 37.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.201 0.524 . . . . 10.0 112.128 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 97' ' ' CYS . 11.8 ptpt -136.19 125.42 15.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.575 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.57 -14.85 27.8 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.644 2.896 . . . . 10.0 114.221 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -76.16 -11.82 59.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.781 0.324 . . . . 10.0 111.398 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.533 ' OG1' ' HG3' ' A' ' 95' ' ' LYS . 1.5 m -82.1 134.79 35.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.812 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.567 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 54.0 mtpt -103.34 167.62 9.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.37 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.8 m -59.87 -35.78 75.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.937 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.448 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.77 -34.89 75.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.556 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -75.87 -32.57 59.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.094 0.473 . . . . 10.0 110.361 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.39 -47.33 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.136 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.76 -29.96 71.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.451 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 10.5 tt0 -64.32 -50.25 68.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.655 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.3 75.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.666 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 111' ' ' VAL . 66.3 tp -62.91 -47.98 80.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.333 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -56.83 -35.51 68.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.898 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 105' ' ' GLU . 48.5 t -62.67 -51.95 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.831 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 110' ' ' LEU . 16.3 mt -67.61 -27.4 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 107' ' ' LEU . 54.4 t -70.26 -50.88 43.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.73 0.3 . . . . 10.0 110.419 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -77.06 -34.17 57.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.661 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 114' ' ' PRO . 24.1 mmm180 -114.56 98.46 49.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.846 -0.428 . . . . 10.0 109.846 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 113' ' ' ARG . 37.6 Cg_endo -65.72 155.21 70.32 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.604 2.202 . . . . 10.0 112.472 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.758 ' HB3' HD21 ' A' ' 77' ' ' ASN . 52.8 t-20 -100.34 119.3 38.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.755 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.8 pt -97.47 4.12 9.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 119' ' ' PRO . 9.9 mtm180 -107.22 -55.29 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.093 0.473 . . . . 10.0 109.805 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.25 74.84 15.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.157 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 117' ' ' ARG . 89.5 Cg_endo -96.37 179.01 0.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.071 2.514 . . . . 10.0 112.034 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 85' ' ' CYS . 7.8 mp -106.26 -24.37 12.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.918 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.496 ' HB2' ' HA ' ' A' ' 76' ' ' PRO . 14.0 mtp180 -124.12 106.19 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 98.2 mtp -69.23 -28.87 66.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.734 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.475 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 21.8 p-10 -65.04 -50.66 65.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.343 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 mp -71.26 -35.72 71.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.765 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.83 -48.27 79.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.916 0.389 . . . . 10.0 110.475 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.02 -38.78 89.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.291 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.573 ' HG ' ' HB2' ' A' ' 135' ' ' PHE . 53.9 tp -58.08 -48.04 81.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.947 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.4 tp -65.86 -38.08 87.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.385 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.4 m -68.52 -32.25 72.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.686 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -88.03 -52.92 5.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -136.29 98.06 11.57 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.743 0.306 . . . . 10.0 110.832 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.94 -35.7 65.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.84 2.36 . . . . 10.0 111.824 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -67.26 -43.66 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.152 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.6 tp -63.51 -41.49 98.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.573 ' HB2' ' HG ' ' A' ' 127' ' ' LEU . 81.8 t80 -65.82 -43.42 88.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.695 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 44' ' ' PRO . 44.7 ttp85 -61.28 -47.25 86.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.553 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -43.35 96.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.97 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -60.82 -47.45 86.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.737 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.05 66.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.233 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.52 -48.46 80.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.508 -0.314 . . . . 10.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 4.7 tt0 -60.92 -45.94 92.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.075 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -59.45 -45.19 92.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.388 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.55 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 16.2 m -61.82 -40.29 94.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.117 0.484 . . . . 10.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' A' ' 47' ' ' LEU . 90.2 mt -89.51 14.01 12.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.68 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 52.6 ttt180 -122.23 -50.8 2.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.979 0.418 . . . . 10.0 110.673 -179.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 71' ' ' THR . 52.1 m-85 -119.3 35.82 4.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.981 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -122.82 140.75 13.44 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.699 -0.763 . . . . 10.0 112.651 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 26.3 t -67.5 141.79 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -56.74 139.71 49.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.647 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 11.3 tpt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.397 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.885 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.3 ptt? . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.836 0.351 . . . . 10.0 110.672 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -97.76 130.68 44.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.077 0.465 . . . . 10.0 111.75 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -121.46 164.15 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' B' ' 66' ' ' THR . 42.4 m-85 -116.89 127.64 54.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.865 0.364 . . . . 10.0 111.158 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.457 ' HB ' HG13 ' B' ' 13' ' ' ILE . 22.0 t -109.98 115.44 49.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.916 -0.772 . . . . 10.0 108.916 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -107.26 133.03 52.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.771 0.319 . . . . 10.0 111.032 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 20.5 p -89.62 -171.83 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.245 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 78.8 mt -81.07 -17.69 49.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.125 0.417 . . . . 10.0 112.125 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.412 HG21 ' H ' ' A' ' 123' ' ' ASP . 16.6 p -94.73 1.94 55.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 10.0 111.814 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.5 -15.79 61.56 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.609 -0.805 . . . . 10.0 112.759 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -60.5 113.12 2.26 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.81 -0.441 . . . . 10.0 109.81 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -110.42 121.24 44.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.839 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.457 HG13 ' HB ' ' B' ' 5' ' ' VAL . 25.2 pt -110.49 148.62 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.052 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.37 148.72 22.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.879 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' B' ' 29' ' ' LYS . 14.7 tp -144.1 127.75 17.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.957 0.408 . . . . 10.0 111.159 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -96.49 108.6 21.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.49 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.452 HG12 ' NZ ' ' B' ' 29' ' ' LYS . 16.0 m -135.92 -175.99 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.704 -178.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.454 ' HG3' ' HD2' ' B' ' 19' ' ' PRO . 0.9 OUTLIER -134.35 157.11 78.2 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 179.024 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.454 ' HD2' ' HG3' ' B' ' 18' ' ' GLU . 76.1 Cg_exo -52.6 -35.37 67.16 Favored 'Trans proline' 0 N--CA 1.474 0.339 0 C-N-CA 122.571 2.181 . . . . 10.0 113.161 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -75.1 -0.16 18.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.72 129.05 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.944 0.402 . . . . 10.0 111.416 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.49 ' HB ' ' HG3' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -77.66 145.51 36.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 mm -54.83 -38.08 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 10.0 111.793 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -61.35 -34.76 75.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.869 0.366 . . . . 10.0 110.832 178.876 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.81 -36.92 70.41 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.57 -43.08 96.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.293 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -59.7 -40.2 87.13 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.608 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.86 92.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.143 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.688 ' HB3' HD11 ' B' ' 15' ' ' LEU . 96.5 mttt -66.48 -35.6 80.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.786 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.48 -41.06 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.538 -0.541 . . . . 10.0 109.538 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.44 -30.11 68.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.339 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.59 -40.81 84.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.46 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.486 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 4.5 ptpt -93.69 -45.66 7.6 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -85.01 -63.76 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 10.0 111.378 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.64 -13.73 6.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.354 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 mt -59.75 121.35 57.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 122.306 0.242 . . . . 10.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 38.1 Cg_exo -59.37 139.58 90.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.906 2.404 . . . . 10.0 111.585 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.6 Cg_exo -54.62 -28.99 58.65 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.366 2.711 . . . . 10.0 112.986 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.83 -26.6 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.082 0.468 . . . . 10.0 110.73 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.546 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 46.1 mt-30 -101.68 9.59 40.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.074 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -99.89 109.83 22.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.655 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 28.3 ttt180 -111.29 92.08 3.9 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.426 ' HB3' HD12 ' B' ' 50' ' ' LEU . 53.0 mt -81.3 121.62 26.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.843 -0.617 . . . . 10.0 112.051 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.3 mm -116.38 125.05 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.16 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.625 ' HB3' HD21 ' B' ' 50' ' ' LEU . 87.2 t80 -139.74 131.95 28.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.266 -0.425 . . . . 10.0 109.953 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.59 31.6 21.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.516 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.51 7.19 85.29 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.801 -0.636 . . . . 10.0 113.246 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -121.84 153.55 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 10.0 111.179 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -87.41 128.13 35.21 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' B' ' 45' ' ' PHE . 65.5 mt -75.41 115.94 15.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.196 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.83 132.38 41.49 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.246 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 3.6 m-20 -52.62 -40.48 62.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.618 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.79 -4.21 85.03 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.892 -0.67 . . . . 10.0 114.648 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.492 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 0.4 OUTLIER -98.87 167.35 10.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.51 0.655 . . . . 10.0 111.475 -179.364 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -106.83 172.63 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.537 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 85.6 mt -67.29 -39.9 86.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.217 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -24.93 67.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.75 0.309 . . . . 10.0 111.572 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.492 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 66.9 m-20 -63.65 -30.69 71.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.2 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -109.23 11.78 25.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.761 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.4 t30 61.91 39.87 13.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.536 0.684 . . . . 10.0 110.927 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.537 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 56.2 mt -87.35 104.33 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.814 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -105.0 -171.23 1.88 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.953 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.885 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 16.1 pttp -70.48 161.09 31.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.491 0.186 . . . . 10.0 110.99 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 70.65 5.74 5.54 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -84.6 149.66 25.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.722 0.296 . . . . 10.0 110.617 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 7.6 m -114.39 122.16 45.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.992 0.425 . . . . 10.0 110.827 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 46.2 mt -99.24 145.38 27.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.04 -0.527 . . . . 10.0 109.931 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -99.1 119.45 37.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.4 tp -100.82 105.37 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.198 0.523 . . . . 10.0 111.597 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.655 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 57.8 t -91.84 127.18 44.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.434 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 54.5 tp -75.64 109.52 9.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.546 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 11.4 ttp85 . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.034 0.445 . . . . 10.0 110.773 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.563 0.209 . . . . 10.0 111.563 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -58.8 -38.11 77.83 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -47.52 72.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.362 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -69.97 -39.34 76.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.581 -0.281 . . . . 10.0 111.039 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 83.9 t -56.88 -47.66 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.993 0.425 . . . . 10.0 110.57 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.35 -42.14 92.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.55 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -42.98 94.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.727 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.33 -37.72 88.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.461 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.73 -48.75 79.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.08 -32.48 74.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.523 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.37 -47.66 78.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.489 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.816 HD21 ' HB3' ' A' ' 101' ' ' CYS . 37.4 mt -76.73 -33.97 58.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.561 -0.745 . . . . 10.0 112.595 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -69.62 -22.96 63.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.93 0.344 . . . . 10.0 111.93 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -75.97 -31.56 59.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.808 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -154.47 83.69 4.03 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.164 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 4.3 Cg_exo -77.54 147.31 25.1 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.124 2.549 . . . . 10.0 112.538 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 39.6 Cg_exo -62.25 147.89 94.19 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.756 2.304 . . . . 10.0 111.019 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 53.0 Cg_exo -57.28 -25.27 64.16 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 123.042 2.495 . . . . 10.0 113.247 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' A' ' 105' ' ' GLU . 44.0 p90 -95.91 6.07 49.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.4 tp -133.49 117.75 17.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.743 0.306 . . . . 10.0 110.938 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -132.16 166.32 22.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 61.33 40.36 14.37 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.549 0.53 . . . . 10.0 111.57 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.0 tp -86.55 107.82 18.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.085 0.469 . . . . 10.0 110.81 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -146.4 157.52 43.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.42 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -79.6 162.07 25.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 13.4 t70 -66.0 150.54 48.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.095 0.474 . . . . 10.0 110.834 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.1 -27.23 68.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.584 -0.734 . . . . 10.0 111.991 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.97 -1.27 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.125 0.787 . . . . 10.0 113.125 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 20.2 t-20 -146.09 124.43 12.31 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.653 -0.419 . . . . 10.0 111.897 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.9 -16.27 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.063 0.458 . . . . 10.0 110.694 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.6 mt -86.76 1.71 51.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.168 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.0 t -123.24 109.92 24.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.635 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 47.0 m0 -98.82 147.66 24.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.024 0.44 . . . . 10.0 111.073 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -127.89 128.96 46.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.07 164.22 37.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 10.0 111.487 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.2 mt -109.16 117.78 35.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.723 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.542 ' HB2' HD23 ' A' ' 52' ' ' LEU . 33.3 tp -86.2 134.44 33.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.6 86.92 30.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.255 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.3 137.19 30.56 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.507 2.138 . . . . 10.0 110.253 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.28 -19.35 24.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.963 0.411 . . . . 10.0 111.693 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.5 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 11.7 tp60 -71.62 134.82 83.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.366 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 16.7 Cg_exo -69.12 145.9 62.4 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.526 2.151 . . . . 10.0 110.904 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 65.0 Cg_endo -96.39 13.17 39.08 Favored 'Cis proline' 0 N--CA 1.459 -0.557 0 C-N-CA 123.623 -1.407 . . . . 10.0 111.915 -0.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -65.14 -13.91 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.885 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.449 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 0.3 OUTLIER -75.11 -3.93 35.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.781 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -79.07 -35.29 42.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.968 0.358 . . . . 10.0 111.968 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 150' ' ' ARG . 26.5 mmtt -134.87 -167.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.868 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.55 160.18 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.51 127.71 46.87 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.115 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -80.75 130.32 35.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.2 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.542 HD23 ' HB2' ' A' ' 38' ' ' LEU . 3.4 pp -120.13 154.82 34.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.736 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 121.51 35.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.428 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.812 HG23 HG12 ' A' ' 67' ' ' ILE . 44.9 mt -101.65 114.32 40.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.658 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.37 114.23 28.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.814 0.34 . . . . 10.0 110.923 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.52 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 84.7 m-85 -92.01 125.78 55.64 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.89 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 56' ' ' PHE . 7.5 Cg_exo -74.89 151.6 40.29 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.78 2.32 . . . . 10.0 111.1 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.24 -17.83 59.09 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.647 2.231 . . . . 10.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.1 6.59 45.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.455 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 39.6 t80 -54.91 139.82 61.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 110.306 -0.257 . . . . 10.0 110.306 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.52 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 65.8 Cg_endo -94.92 23.91 25.65 Favored 'Cis proline' 0 C--N 1.348 0.531 0 C-N-CA 124.076 -1.218 . . . . 10.0 113.666 0.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -76.28 -15.73 59.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.583 0.706 . . . . 10.0 109.705 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.82 132.09 24.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.083 -0.962 . . . . 10.0 108.985 178.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.83 139.38 74.14 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.972 2.448 . . . . 10.0 112.855 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.45 125.96 14.78 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.858 2.372 . . . . 10.0 111.171 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.3 mtm -83.87 91.73 7.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.837 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.812 HG12 HG23 ' A' ' 54' ' ' ILE . 29.4 mt -97.98 127.24 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.121 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 6.1 ptmm? -140.42 160.31 40.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -84.47 137.09 33.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.775 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -35.57 16.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.26 165.69 13.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.494 -0.775 . . . . 10.0 109.57 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -90.43 112.19 23.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.011 0.434 . . . . 10.0 111.691 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.0 tt -113.3 116.6 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.831 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -77.53 87.84 3.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.458 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -132.23 134.95 25.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.02 -0.537 . . . . 10.0 109.916 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.542 ' HG3' HD22 ' A' ' 128' ' ' LEU . 19.1 Cg_endo -58.42 -12.59 14.09 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.326 2.684 . . . . 10.0 114.127 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -114.34 19.96 15.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.865 0.364 . . . . 10.0 110.785 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -137.15 141.48 40.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.61 171.34 8.73 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.271 -0.172 . . . . 10.0 110.547 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.17 -29.43 67.44 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.727 0.64 . . . . 10.0 112.727 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -76.89 -42.18 40.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 10.0 109.866 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.82 22.6 1.58 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.508 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -80.36 151.02 29.65 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.711 0.291 . . . . 10.0 110.671 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.414 HD12 HD13 ' A' ' 107' ' ' LEU . 1.4 pt -141.53 129.39 21.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.866 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.526 ' HB2' HD11 ' A' ' 120' ' ' LEU . 33.4 m -84.0 74.69 10.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 99.989999999999995 110.826 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.572 ' HB2' HG12 ' A' ' 89' ' ' ILE . 38.5 mt -89.49 117.18 67.94 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.219 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.51 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 40.3 Cg_exo -58.59 -29.35 88.82 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 122.603 2.202 . . . . 10.0 112.05 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.628 HD13 ' HA ' ' A' ' 103' ' ' VAL . 18.3 tt -67.55 -26.57 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.572 HG12 ' HB2' ' A' ' 86' ' ' LEU . 46.3 pt -104.56 1.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 122.155 -0.341 . . . . 10.0 111.617 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.5 p -72.28 140.48 48.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -20.41 38.13 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -87.69 -7.9 56.8 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 87' ' ' PRO . 45.2 m-80 -138.81 12.09 2.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -81.38 128.34 33.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.256 0.55 . . . . 10.0 111.972 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.512 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 4.1 mppt? -124.95 123.17 25.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.307 -0.861 . . . . 10.0 108.814 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 39.9 Cg_exo -58.66 -17.52 35.84 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.227 2.618 . . . . 10.0 113.368 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -77.44 -13.91 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.357 . . . . 10.0 111.678 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.24 137.65 35.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.794 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -98.76 162.9 12.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.5 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.6 m -58.22 -34.07 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 10.0 112.138 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.816 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.64 -31.59 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 10.0 111.604 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -79.26 -30.61 43.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.064 0.459 . . . . 10.0 110.313 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.628 ' HA ' HD13 ' A' ' 88' ' ' ILE . 51.0 t -70.08 -46.66 71.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.396 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.13 -28.59 69.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.693 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.462 ' HA ' ' OH ' ' A' ' 20' ' ' TYR . 12.0 tt0 -68.41 -44.63 74.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.952 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.24 83.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.304 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 86' ' ' LEU . 42.9 tp -62.14 -44.43 96.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.731 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -56.97 -37.32 71.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.053 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.4 t -65.33 -45.04 94.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.506 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.31 -35.48 81.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.298 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.11 -47.2 62.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.199 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -72.68 -35.85 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.817 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 113' ' ' ARG . 14.7 mmm180 -119.68 98.75 49.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.759 0.314 . . . . 10.0 110.186 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.422 ' HB3' ' HG2' ' A' ' 76' ' ' PRO . 20.8 Cg_exo -66.73 118.89 5.9 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.677 2.252 . . . . 10.0 111.944 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -70.1 103.75 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.834 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 20.5 pt -81.15 -3.74 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 10.0 112.009 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -79.68 -59.43 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -121.72 85.22 44.14 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.716 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -90.54 173.81 3.06 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.844 2.362 . . . . 10.0 111.45 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.4 mp -98.7 -24.28 15.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.076 0.465 . . . . 10.0 110.142 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 15.7 mtp180 -132.95 106.82 7.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.151 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -62.43 -30.8 71.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.583 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 13.8 p-10 -68.92 -34.93 76.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.421 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.593 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.7 mp -81.21 -40.9 23.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.522 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.48 93.7 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 27.1 t70 -60.69 -56.1 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.186 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.621 HD11 HD23 ' A' ' 134' ' ' LEU . 44.2 tp -55.95 -40.27 72.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.61 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.542 HD22 ' HG3' ' A' ' 76' ' ' PRO . 35.5 tp -62.06 -34.89 77.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.651 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 -31.07 18.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.881 0.372 . . . . 10.0 111.423 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 22.0 mm-40 -72.37 -53.12 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.03 0.443 . . . . 10.0 110.526 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -144.05 92.97 6.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.145 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.79 -32.74 97.7 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 123.011 2.474 . . . . 10.0 112.187 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 137' ' ' LYS . 41.2 tp10 -68.35 -46.94 68.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.16 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.621 HD23 HD11 ' A' ' 127' ' ' LEU . 20.9 tp -61.08 -42.72 99.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.943 0.402 . . . . 10.0 110.207 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.593 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 81.7 t80 -66.87 -41.48 87.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.951 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 48.7 ttp85 -57.75 -38.65 75.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 133' ' ' GLU . 63.1 mttm -62.12 -50.42 71.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.857 0.36 . . . . 10.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.91 -41.38 95.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.818 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.81 -34.51 76.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -63.6 -49.89 71.57 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.197 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.67 -41.77 95.74 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.808 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -42.22 91.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.877 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.3 m -64.68 -37.45 87.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.182 0.515 . . . . 10.0 110.113 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 81.3 mt -93.2 25.68 3.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.459 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -136.68 -39.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.931 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -128.76 34.96 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.554 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -119.0 150.38 17.96 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.157 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 25.8 t -81.11 143.78 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -56.67 128.69 37.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.908 0.385 . . . . 10.0 111.516 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.514 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 20.3 ttt180 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.606 -0.725 . . . . 10.0 111.04 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.625 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.0 ptt? . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.799 0.333 . . . . 10.0 110.532 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -98.88 130.29 45.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.852 0.358 . . . . 10.0 111.904 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -121.88 166.93 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.641 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' B' ' 66' ' ' THR . 97.6 m-85 -119.34 122.76 42.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.631 -0.258 . . . . 10.0 110.986 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.662 ' HB ' HG13 ' B' ' 13' ' ' ILE . 38.3 t -109.48 117.76 55.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -109.9 126.96 54.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.185 0.517 . . . . 10.0 111.417 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.8 p -92.73 166.9 12.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.111 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.5 mt -76.08 5.67 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 10.0 111.364 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.84 8.4 34.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.779 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.27 20.01 79.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.256 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -105.01 118.21 35.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.97 126.01 51.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.302 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.662 HG13 ' HB ' ' B' ' 5' ' ' VAL . 13.6 pt -121.39 140.19 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.975 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.76 143.11 26.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.945 -0.571 . . . . 10.0 109.959 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.55 145.27 49.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.842 0.354 . . . . 10.0 111.275 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -104.47 98.49 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.119 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -128.51 169.34 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.36 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' B' ' 56' ' ' LEU . 15.1 mm-40 -116.97 157.17 47.16 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -58.44 -20.83 50.73 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.696 2.264 . . . . 10.0 113.007 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.87 10.68 38.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.883 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -82.09 151.3 27.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.711 0.291 . . . . 10.0 111.107 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.448 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -93.79 148.58 21.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.484 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 50.7 mm -59.73 -38.82 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.579 -0.282 . . . . 10.0 111.494 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 1.0 OUTLIER -60.58 -34.03 73.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.332 0.587 . . . . 10.0 110.321 179.207 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -75.26 -38.79 60.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.049 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 22' ' ' THR . 92.3 t -60.92 -43.02 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.775 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 91.2 mttt -58.53 -42.13 87.1 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.484 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.27 90.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.146 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.29 -31.04 71.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.746 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.5 mt -72.14 -44.23 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -64.23 -31.44 72.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.062 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.13 -37.17 76.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.663 -0.699 . . . . 10.0 111.909 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -104.74 -34.19 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.547 0.943 . . . . 10.0 113.547 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -91.55 -33.52 15.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.06 1.22 70.21 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.571 -0.823 . . . . 10.0 112.721 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -84.14 119.84 73.84 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 122.769 -0.254 . . . . 10.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 47.0 Cg_exo -58.01 135.92 71.74 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.108 2.538 . . . . 10.0 112.565 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 65.8 Cg_exo -54.95 -29.76 65.88 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.655 2.904 . . . . 10.0 113.495 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.7 -22.8 65.25 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.235 0.541 . . . . 10.0 110.855 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.415 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 63.8 mt-30 -102.29 7.85 40.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.244 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -100.66 109.33 21.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.806 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.745 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 24.9 ttt180 -106.09 90.98 3.53 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.564 ' HB3' HD12 ' B' ' 50' ' ' LEU . 29.2 mt -79.71 121.73 25.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.605 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.1 130.9 70.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.509 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.69 ' HB3' HD21 ' B' ' 50' ' ' LEU . 81.5 t80 -143.18 127.45 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 29.2 18.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.071 0.462 . . . . 10.0 111.372 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.21 -0.07 84.9 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.953 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -112.12 158.25 19.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.902 0.351 . . . . 10.0 110.72 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -90.72 134.76 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' B' ' 45' ' ' PHE . 69.1 mt -80.49 116.61 20.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.838 0.351 . . . . 10.0 111.55 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -77.44 129.63 35.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.264 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.473 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 5.1 m-20 -49.86 -45.27 50.26 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.442 0.904 . . . . 10.0 113.442 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.27 -9.77 81.27 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 121.016 -0.612 . . . . 10.0 113.765 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -86.88 162.9 17.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.034 0.445 . . . . 10.0 111.269 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 9.1 p -108.9 166.61 10.69 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.5 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -63.54 -27.3 69.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 10.0 111.169 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -14.7 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.531 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -73.04 -38.56 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.123 0.487 . . . . 10.0 110.556 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.441 ' HB2' HG13 ' B' ' 61' ' ' ILE . 77.2 m-85 -98.48 2.9 48.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.703 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.24 44.59 7.49 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.748 0.655 . . . . 10.0 110.807 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' B' ' 59' ' ' TYR . 52.8 mt -85.24 112.87 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.576 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -94.79 -172.96 2.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.859 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.625 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 20.3 pttp -76.67 161.79 28.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 72.85 -7.41 1.47 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.2 m -65.26 140.0 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.841 0.353 . . . . 10.0 111.176 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 3.2 m -103.88 120.08 40.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.415 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 33.0 mt -99.67 150.52 22.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.261 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.58 122.18 43.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.2 tp -106.93 112.49 25.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.051 0.453 . . . . 10.0 111.998 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.745 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 26.1 t -97.28 134.64 34.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.152 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 tp -88.22 115.1 25.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.816 0.341 . . . . 10.0 111.065 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.415 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 3.4 tmm_? . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.919 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.737 0.303 . . . . 10.0 111.27 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -34.97 71.57 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.9 ttm -55.51 -45.4 77.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.594 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -71.02 -38.54 72.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.587 -0.279 . . . . 10.0 111.019 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.9 -44.66 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.08 -39.6 84.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.08 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -64.79 -46.81 80.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.631 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.32 -37.98 89.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.437 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.6 tp -66.01 -42.35 89.83 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -48.18 82.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.801 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.39 -51.33 70.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.013 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.4 mt -68.12 -24.63 65.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.919 -0.582 . . . . 10.0 112.318 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -76.71 -28.87 56.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 10.0 110.158 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -82.67 -34.39 27.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.014 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -129.21 75.66 79.93 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.002 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.16 130.15 10.95 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.546 2.164 . . . . 10.0 112.278 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HG2' ' CB ' ' A' ' 21' ' ' LEU . 36.9 Cg_endo -68.07 147.52 73.62 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.294 1.996 . . . . 10.0 111.23 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.97 -22.75 70.31 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 123.006 2.471 . . . . 10.0 113.393 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -92.59 6.89 45.62 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' CB ' ' HG2' ' A' ' 18' ' ' PRO . 12.5 tp -134.43 122.27 22.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.817 0.342 . . . . 10.0 110.56 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -124.81 161.67 25.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.895 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 53.48 45.75 27.62 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.778 0.674 . . . . 10.0 111.932 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -79.95 100.1 7.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.495 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -136.78 172.06 13.57 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.973 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.13 173.02 10.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.532 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 15.9 t70 -71.8 158.26 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -60.59 -38.71 85.55 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.97 20.36 3.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 13.6 t-20 -142.11 130.04 21.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.934 0.397 . . . . 10.0 111.239 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.22 -14.68 9.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.251 0.548 . . . . 10.0 110.324 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.24 21.34 10.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.122 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 80.8 t -137.78 129.0 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.935 -0.394 . . . . 10.0 109.935 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.684 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 32.3 m0 -105.13 150.51 24.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.046 0.45 . . . . 10.0 111.438 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -124.11 124.62 42.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.957 -1.127 . . . . 10.0 107.957 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.33 152.52 29.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.6 mt -106.97 114.6 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.454 -0.794 . . . . 10.0 109.121 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 tp -82.37 131.15 35.23 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.051 -0.352 . . . . 10.0 110.051 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mp -115.06 90.36 23.14 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.1 157.54 57.36 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.484 2.123 . . . . 10.0 110.481 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -107.0 -24.84 11.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.11 0.481 . . . . 10.0 110.665 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.434 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 55.8 tp60 -62.14 128.74 91.37 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.559 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 16.9 Cg_exo -70.54 141.59 42.45 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.053 2.502 . . . . 10.0 111.109 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 71.1 Cg_endo -99.18 17.69 26.14 Favored 'Cis proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.839 -1.317 . . . . 10.0 112.322 -0.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -60.94 -29.29 69.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 10.0 111.496 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -0.29 6.85 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.51 -13.46 54.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.752 0.31 . . . . 10.0 110.746 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 149' ' ' ASP . 20.5 mmtm -144.92 -168.39 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.764 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -132.18 151.77 51.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.667 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -124.73 120.27 31.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.79 0.328 . . . . 10.0 111.257 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -80.67 135.28 36.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.423 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -123.57 150.38 44.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.407 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 53' ' ' ARG . 24.1 ttt180 -119.41 115.36 23.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.085 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.684 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 53.5 mt -95.7 120.03 44.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.24 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -105.41 114.88 29.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.253 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -89.77 127.9 52.4 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 56.5 Cg_endo -71.24 150.67 59.61 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.375 2.05 . . . . 10.0 110.99 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.55 -16.43 53.78 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.572 2.181 . . . . 10.0 111.749 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -97.58 17.31 18.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.24 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 61' ' ' PRO . 15.0 t80 -63.34 141.67 97.82 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 60' ' ' TYR . 67.1 Cg_endo -98.01 24.3 21.69 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 124.261 -1.141 . . . . 10.0 113.061 0.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -77.08 -9.6 58.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 10.0 109.379 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.3 OUTLIER -128.8 141.46 41.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 114.761 -1.109 . . . . 10.0 109.024 179.285 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.553 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 55.5 Cg_endo -70.62 141.74 42.45 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.746 2.297 . . . . 10.0 113.086 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.51 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 74.3 Cg_endo -77.78 137.52 16.07 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.557 2.171 . . . . 10.0 111.185 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 71.7 mtm -93.58 117.72 30.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 10.0 110.874 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.647 HG12 HG23 ' A' ' 54' ' ' ILE . 45.4 mt -111.9 125.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.354 -0.384 . . . . 10.0 110.231 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 5.1 ptmm? -131.36 152.98 50.11 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -85.14 133.22 34.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.51 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.13 -13.41 28.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.709 0.766 . . . . 10.0 109.342 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 m -106.69 140.71 39.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.133 -0.94 . . . . 10.0 109.93 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -70.07 106.46 3.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.561 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.1 tt -111.79 128.67 68.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.064 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -86.99 77.99 9.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.971 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -123.53 134.23 25.11 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.219 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.633 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 27.2 Cg_endo -61.43 -15.83 43.47 Favored 'Trans proline' 0 N--CA 1.479 0.647 0 C-N-CA 123.307 2.671 . . . . 10.0 113.68 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -111.96 24.93 12.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.809 0.338 . . . . 10.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 84' ' ' ILE . 92.8 t -136.25 138.66 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -79.66 158.14 27.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.045 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.39 -31.65 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -80.78 -4.99 56.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.88 0.326 . . . . 10.0 111.88 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.86 13.57 49.58 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.527 -0.844 . . . . 10.0 111.965 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -83.47 142.41 30.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.684 HD12 HD13 ' A' ' 86' ' ' LEU . 17.3 pt -119.61 -178.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.895 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.791 ' HB2' HD11 ' A' ' 120' ' ' LEU . 1.3 m -137.51 92.81 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.692 -0.685 . . . . 99.989999999999995 109.383 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.684 HD13 HD12 ' A' ' 84' ' ' ILE . 4.3 mp -106.15 113.41 63.52 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.139 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.71 -28.54 76.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.901 2.401 . . . . 10.0 112.196 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.481 HG23 HG23 ' A' ' 89' ' ' ILE . 18.3 tt -66.04 -26.27 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.168 0.433 . . . . 10.0 112.168 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.481 HG23 HG23 ' A' ' 88' ' ' ILE . 38.5 pt -111.74 19.64 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 10.0 111.263 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.2 p -77.68 149.41 34.66 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -6.71 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.507 0.558 . . . . 10.0 112.507 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -111.32 -7.8 14.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.845 0.313 . . . . 10.0 111.845 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -136.04 20.76 3.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.447 0.536 . . . . 10.0 112.447 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -83.28 136.28 34.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.977 0.418 . . . . 10.0 111.61 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 95' ' ' LYS . 3.8 mppt? -123.4 123.28 26.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.53 -16.87 50.64 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.913 2.409 . . . . 10.0 113.125 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 p -84.32 -8.85 58.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -73.9 136.61 43.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.102 0.477 . . . . 10.0 111.592 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -99.22 151.73 20.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.637 -0.875 . . . . 10.0 108.637 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 m -58.05 -26.42 62.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.814 0.34 . . . . 10.0 111.763 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.06 -29.25 70.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.089 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -79.99 -36.63 35.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.99 0.424 . . . . 10.0 109.923 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 22.7 t -63.98 -45.29 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.167 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 54' ' ' ILE . 93.1 mt -61.92 -36.5 81.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.76 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.64 -49.06 70.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.257 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.84 -37.64 76.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.226 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 111' ' ' VAL . 60.8 tp -64.45 -49.37 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.746 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -56.76 -43.13 80.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.11 -44.09 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.751 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.38 -26.19 64.53 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 107' ' ' LEU . 74.7 t -75.64 -45.27 39.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.837 0.351 . . . . 10.0 110.169 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -75.12 -33.84 61.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.331 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 113' ' ' ARG . 14.2 mmm180 -116.7 98.06 51.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.09 119.18 6.19 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.742 2.295 . . . . 10.0 112.485 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.542 ' ND2' ' HB2' ' A' ' 118' ' ' GLU . 38.9 t30 -75.34 110.69 9.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.968 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.7 pt -83.07 -7.28 10.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 10.0 112.412 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -86.69 -38.4 17.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.204 0.526 . . . . 10.0 110.156 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.542 ' HB2' ' ND2' ' A' ' 115' ' ' ASN . 5.7 mp0 -119.3 81.45 22.05 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.527 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -93.41 129.35 0.71 Allowed 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.861 2.374 . . . . 10.0 112.451 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.791 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.8 mp -78.72 -24.89 44.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.507 0.67 . . . . 10.0 109.24 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.462 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 37.2 mtp180 -129.12 100.21 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.194 -0.912 . . . . 10.0 110.396 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -63.04 -26.39 68.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.913 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.462 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 16.8 p-10 -70.91 -33.47 70.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.321 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.482 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.1 mp -88.79 -44.98 10.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.921 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.37 90.18 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.987 0.422 . . . . 10.0 111.287 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.586 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 22.5 t70 -66.06 -42.79 89.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.389 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 19.1 tp -58.57 -44.32 89.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.271 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.89 -32.78 73.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.84 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.0 m -80.46 -31.67 37.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.903 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 80.4 mm-40 -70.02 -54.04 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.597 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 134' ' ' LEU . 44.6 t-20 -146.67 105.6 3.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.413 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -58.08 -43.08 51.1 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.976 2.451 . . . . 10.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -64.81 -43.6 92.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.672 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 131' ' ' ASN . 60.5 tp -59.15 -46.34 88.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.092 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.633 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 62.8 t80 -65.4 -41.34 93.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.016 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -59.3 -44.05 92.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.695 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -60.44 -49.46 77.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.716 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -65.55 -35.46 80.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.891 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.53 80.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.551 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.36 -32.68 72.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.549 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -61.26 2.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.897 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -63.15 -38.63 91.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.933 -0.576 . . . . 10.0 112.485 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.434 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 33.4 m -59.56 -48.17 82.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 30.1 mt -88.16 16.4 6.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.705 0.288 . . . . 10.0 111.36 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -122.04 -56.07 1.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.868 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -106.96 -2.22 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -85.93 153.81 27.29 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.431 -0.89 . . . . 10.0 112.371 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 18.5 t -80.39 149.93 5.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 107.848 -1.167 . . . . 10.0 107.848 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.513 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 5.0 t0 -62.55 159.83 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.092 -178.672 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -93.46 123.32 36.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.093 0.473 . . . . 10.0 111.971 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.466 HD11 HD23 ' B' ' 15' ' ' LEU . 28.8 pt -127.91 175.95 8.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -129.46 140.3 51.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.906 0.384 . . . . 10.0 111.422 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -119.69 116.02 49.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.109 -0.701 . . . . 10.0 109.109 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.425 ' HE3' ' HA2' ' B' ' 10' ' ' GLY . 68.4 tttt -102.63 128.3 49.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.487 -179.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.456 HG22 HD23 ' B' ' 69' ' ' LEU . 17.7 p -88.03 169.39 12.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.273 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.42 -31.18 70.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.929 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -26.67 61.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 10.0 111.445 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.425 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . 118.04 -10.31 13.62 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.905 -0.664 . . . . 10.0 111.598 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -65.35 106.73 1.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -97.47 111.62 23.8 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.236 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 pt -98.57 148.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.93 0.395 . . . . 10.0 111.315 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -88.31 139.6 30.33 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.391 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.6 HD21 HG13 ' B' ' 26' ' ' VAL . 28.6 tp -137.34 130.68 31.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.663 0.268 . . . . 10.0 110.602 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -113.09 98.14 6.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.163 0.506 . . . . 10.0 111.165 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -133.21 160.09 42.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.567 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -95.35 158.66 34.3 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 110.515 -0.179 . . . . 10.0 110.515 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -61.53 -17.45 54.02 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.888 2.392 . . . . 10.0 112.598 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.78 1.69 54.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.312 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -77.78 154.88 31.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.892 0.377 . . . . 10.0 111.463 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -96.64 144.72 26.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.911 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.52 -40.33 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.792 0.293 . . . . 10.0 111.792 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -36.16 81.75 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.975 0.417 . . . . 10.0 110.714 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -69.85 -36.37 75.48 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.6 HG13 HD21 ' B' ' 15' ' ' LEU . 45.9 t -62.39 -42.55 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.516 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.94 -39.34 85.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.806 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.8 -31.8 72.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.87 -36.67 62.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.622 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.45 -32.36 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -67.76 -22.44 65.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.813 -1.085 . . . . 10.0 109.811 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.72 -54.18 6.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.359 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' B' ' 33' ' ' LYS . 6.1 ptpt -73.54 -38.0 65.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.345 0.868 . . . . 10.0 113.345 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -96.32 -62.91 1.2 Allowed 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.919 -0.312 . . . . 10.0 111.359 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.93 -5.08 9.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.088 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.2 mt -70.45 124.2 90.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 C-N-CA 122.113 0.165 . . . . 10.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.0 Cg_exo -55.46 138.12 79.41 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 123.074 2.516 . . . . 10.0 111.949 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.8 Cg_exo -55.92 -31.67 82.55 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.592 2.861 . . . . 10.0 113.339 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.81 -23.77 64.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.14 0.495 . . . . 10.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -96.78 4.02 51.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.651 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.04 117.79 33.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.998 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.761 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 68.7 ttt180 -114.95 100.35 8.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.591 ' HB3' HD12 ' B' ' 50' ' ' LEU . 58.8 mt -85.96 116.52 24.24 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.284 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.48 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 12.7 mm -112.42 125.65 69.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.141 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.522 ' HB3' HD21 ' B' ' 50' ' ' LEU . 60.6 t80 -150.75 140.69 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.326 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 22.49 12.18 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.422 0.451 . . . . 10.0 111.671 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.65 86.79 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.879 -0.601 . . . . 10.0 112.207 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -125.97 168.11 14.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.857 0.36 . . . . 10.0 110.438 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -97.91 133.76 41.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.905 -0.588 . . . . 10.0 109.807 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' B' ' 43' ' ' LEU . 45.9 mt -80.85 115.76 20.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.141 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.62 ' HB3' ' HB2' ' B' ' 54' ' ' ARG . 5.1 tt0 -73.43 137.92 44.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.141 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.25 -33.34 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.821 -0.627 . . . . 10.0 112.112 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.33 12.22 69.86 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.796 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.62 ' HB2' ' HB3' ' B' ' 51' ' ' GLU . 0.0 OUTLIER -110.29 164.53 12.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 -179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 45.3 p -113.73 167.9 10.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.964 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.31 -27.47 68.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 10.0 111.437 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -27.19 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.281 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -64.11 -42.43 96.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.085 0.469 . . . . 10.0 111.325 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -91.63 3.25 55.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.172 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.38 48.08 12.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.727 -0.669 . . . . 10.0 111.149 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.8 mt -81.37 127.69 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.591 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -104.25 -176.84 3.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.945 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.466 ' HD2' ' HG3' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -71.62 153.29 42.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.865 0.364 . . . . 10.0 111.69 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.466 ' HG3' ' HD2' ' B' ' 63' ' ' LYS . 41.1 mt-10 68.51 10.67 8.01 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.397 0.888 . . . . 10.0 113.397 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.7 m -74.24 138.71 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.005 -0.368 . . . . 10.0 110.005 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -101.07 112.01 24.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.979 0.419 . . . . 10.0 111.073 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 29.4 mt -88.0 144.47 26.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.041 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.48 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 27.5 m80 -93.62 118.47 31.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.456 HD23 HG22 ' B' ' 7' ' ' THR . 42.9 tp -102.61 102.63 12.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.082 0.468 . . . . 10.0 111.396 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.761 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 44.3 t -94.46 136.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.217 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -90.75 122.47 33.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.081 0.467 . . . . 10.0 111.384 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.243 179.702 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.532 0.206 . . . . 10.0 111.139 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -38.72 60.28 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.09 0.774 . . . . 10.0 113.09 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 56.9 ttm -54.62 -52.64 61.61 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 111.914 0.339 . . . . 10.0 111.914 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -71.06 -36.65 72.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.991 -0.284 . . . . 10.0 111.512 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.66 -47.07 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.47 -40.41 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 10.0 110.405 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -64.05 -43.98 93.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.33 -36.8 85.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.035 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.33 -48.94 77.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.762 -0.653 . . . . 10.0 109.252 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.69 -43.46 94.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.922 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.07 -50.23 74.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.723 -0.672 . . . . 10.0 111.086 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 101' ' ' CYS . 19.9 mt -71.61 -27.69 63.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.637 -0.711 . . . . 10.0 112.808 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -77.48 -38.47 49.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.701 0.286 . . . . 10.0 111.07 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -75.0 -34.64 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.072 0.463 . . . . 10.0 109.945 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -126.28 76.67 72.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.976 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.27 129.64 3.3 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.623 2.215 . . . . 10.0 112.791 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 38.6 Cg_endo -68.76 144.77 60.71 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.286 1.991 . . . . 10.0 110.478 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 59.6 Cg_exo -52.85 -32.36 56.18 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 123.151 2.568 . . . . 10.0 113.679 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -80.5 -2.17 44.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.39 0.885 . . . . 10.0 113.39 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD22 HD13 ' A' ' 104' ' ' LEU . 15.8 tp -122.47 123.55 41.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.805 0.336 . . . . 10.0 110.659 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -126.68 159.59 33.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.918 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.443 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 3.7 t30 51.69 64.94 1.65 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.37 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 65.6 tp -97.24 106.74 19.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 m -144.58 147.93 33.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.014 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.49 162.24 29.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.116 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.656 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 17.7 t70 -62.06 138.06 58.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.11 -12.99 61.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.41 -40.78 4.03 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.656 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 47.4 t-20 -124.44 121.66 35.51 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.825 0.345 . . . . 10.0 111.599 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -67.79 -17.01 21.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 120.954 0.407 . . . . 10.0 111.826 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.73 3.97 30.89 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.871 0.367 . . . . 10.0 111.648 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 44.4 t -121.81 135.02 63.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.641 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 46.0 m0 -116.83 148.13 41.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.985 0.421 . . . . 10.0 111.405 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -125.65 122.6 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.464 -0.939 . . . . 10.0 108.464 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 23' ' ' ASN . . . -149.3 160.86 43.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.068 0.461 . . . . 10.0 111.901 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 mt -110.29 122.63 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.979 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -95.13 132.92 39.52 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.67 96.34 36.6 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.015 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -68.09 157.32 62.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 10.0 110.879 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -109.33 -28.11 9.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.657 0.265 . . . . 10.0 111.674 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -65.49 133.0 95.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.598 -0.273 . . . . 10.0 110.752 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.25 143.29 48.06 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.314 2.01 . . . . 10.0 111.014 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -98.61 23.55 21.88 Favored 'Cis proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.992 -1.253 . . . . 10.0 112.192 -0.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -64.73 -20.81 66.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 10.0 111.28 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.499 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 1.6 p-80 -78.85 10.14 3.62 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.659 0.614 . . . . 10.0 112.659 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.32 -31.03 25.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.626 0.25 . . . . 10.0 110.84 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 49.1 mmtt -140.83 -164.34 1.72 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.549 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.14 156.49 42.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.407 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -122.85 138.79 54.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.534 -0.303 . . . . 10.0 110.542 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -94.35 134.22 37.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.741 0.305 . . . . 10.0 110.788 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 pp -119.66 154.15 34.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.027 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -121.66 115.82 23.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.641 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 42.3 mt -100.27 121.63 51.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -115.35 116.8 28.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.803 0.335 . . . . 10.0 110.773 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -92.98 135.46 25.89 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.669 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 96.7 Cg_endo -83.56 155.32 13.94 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.414 2.076 . . . . 10.0 110.744 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.61 -15.28 48.77 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.429 2.086 . . . . 10.0 112.03 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -92.32 13.87 18.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.405 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 16.8 t80 -65.77 142.84 98.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.573 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 69.1 Cg_endo -96.08 22.21 27.6 Favored 'Cis proline' 0 C--N 1.35 0.639 0 C-N-CA 124.119 -1.2 . . . . 10.0 113.323 0.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -75.87 -21.23 57.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -116.1 139.28 24.92 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.291 -0.868 . . . . 10.0 109.336 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.41 141.2 38.22 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.431 2.087 . . . . 10.0 112.345 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 63.0 Cg_endo -76.25 136.13 17.6 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.518 2.145 . . . . 10.0 111.153 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 50.1 ttm -84.74 117.37 23.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.637 HG12 HG23 ' A' ' 54' ' ' ILE . 53.1 mt -115.53 128.15 72.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 11.3 ptmm? -144.68 169.63 17.63 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -92.68 138.83 31.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.676 0.274 . . . . 10.0 110.531 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.99 -22.09 23.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.481 0.657 . . . . 10.0 109.684 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.33 169.2 8.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.124 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -86.15 126.83 34.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.782 0.325 . . . . 10.0 111.182 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.42 HG12 ' HB2' ' A' ' 75' ' ' HIS . 6.8 tt -127.53 119.13 51.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.58 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -73.4 82.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.226 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.529 ' HB3' HG23 ' A' ' 78' ' ' VAL . 29.8 t60 -132.46 136.2 27.56 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.757 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.694 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 36.7 Cg_endo -65.82 -0.87 4.29 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.954 2.436 . . . . 10.0 113.703 -179.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -119.23 15.31 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.044 0.45 . . . . 10.0 110.401 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 84' ' ' ILE . 21.7 t -133.65 148.54 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.412 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -98.46 171.12 8.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.979 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.62 -6.31 14.87 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.521 0.934 . . . . 10.0 113.521 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.455 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 47.6 m-80 -102.43 -7.36 22.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.25 0.547 . . . . 10.0 110.148 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.85 18.39 44.25 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.648 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.408 ' HB2' ' OD1' ' A' ' 79' ' ' ASP . 4.9 mm100 -86.33 142.48 28.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.915 0.388 . . . . 10.0 110.887 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.539 HG22 HG22 ' A' ' 78' ' ' VAL . 24.3 pt -133.92 176.35 9.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.822 -0.627 . . . . 10.0 109.376 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 86.4 m -142.47 91.13 2.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.085 0.469 . . . . 99.989999999999995 109.961 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.577 ' HB2' HG12 ' A' ' 89' ' ' ILE . 81.8 mt -90.48 116.0 65.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.344 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.05 -26.34 68.21 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.781 2.321 . . . . 10.0 112.292 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 103' ' ' VAL . 20.9 tt -66.88 -26.65 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-N 115.995 -0.548 . . . . 10.0 112.246 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.577 HG12 ' HB2' ' A' ' 86' ' ' LEU . 23.0 pt -115.34 16.03 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.4 p -67.19 149.97 49.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 0.53 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -121.2 2.01 10.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.881 -0.145 . . . . 10.0 111.327 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -137.94 3.01 2.42 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -65.47 139.36 58.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.434 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 70.5 mttt -131.36 127.06 21.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.59 -21.7 69.8 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.726 2.284 . . . . 10.0 113.007 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.76 -9.25 59.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 10.0 111.881 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -83.46 130.51 35.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.684 0.278 . . . . 10.0 110.514 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -98.28 163.37 12.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.333 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.4 m -59.72 -34.85 73.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.746 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.661 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -60.15 -37.45 80.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.874 0.369 . . . . 10.0 111.317 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -70.66 -36.99 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.337 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.433 ' HA ' HD13 ' A' ' 88' ' ' ILE . 40.7 t -67.94 -41.57 84.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.547 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.481 HD13 HD22 ' A' ' 21' ' ' LEU . 88.8 mt -61.17 -37.95 84.75 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.914 179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 25.1 tt0 -66.09 -43.83 86.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.3 98.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.109 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 111' ' ' VAL . 55.4 tp -61.5 -47.42 85.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.486 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.21 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.817 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 105' ' ' GLU . 71.8 t -67.34 -47.77 80.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.381 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.8 mt -64.94 -27.25 68.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.368 . . . . 10.0 111.859 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 107' ' ' LEU . 53.6 t -73.86 -47.3 43.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.144 -0.317 . . . . 10.0 110.144 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -72.44 -33.87 67.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -119.78 90.51 43.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.178 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.19 122.86 10.97 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.036 2.491 . . . . 10.0 112.47 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -73.28 106.35 5.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.309 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.513 ' H ' HG13 ' A' ' 116' ' ' ILE . 1.7 pp -82.94 -13.75 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.034 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.459 ' HB2' ' OE1' ' A' ' 118' ' ' GLU . 15.0 mtp-105 -68.49 -60.63 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.459 ' OE1' ' HB2' ' A' ' 117' ' ' ARG . 2.1 mp0 -124.8 82.06 60.82 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.94 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -93.17 168.21 2.36 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.985 2.457 . . . . 10.0 111.88 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.23 -21.43 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.297 0.57 . . . . 10.0 109.615 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.522 ' HD3' HD22 ' A' ' 124' ' ' LEU . 19.9 mtp180 -128.07 96.63 4.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.563 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -62.2 -28.56 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 23.4 p-10 -66.93 -47.03 72.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.98 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.522 HD22 ' HD3' ' A' ' 121' ' ' ARG . 5.5 mp -73.46 -36.13 65.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.98 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.6 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.03 -40.23 95.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 10.0 110.546 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.525 HD11 HD23 ' A' ' 134' ' ' LEU . 48.6 tp -60.7 -41.12 94.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.501 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.04 -27.11 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.839 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 m -84.19 -32.09 24.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.089 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -75.32 -54.34 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.372 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -149.42 99.53 3.39 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.863 0.363 . . . . 10.0 110.926 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.9 -35.2 98.35 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.163 2.575 . . . . 10.0 112.719 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.571 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 28.2 tp10 -63.47 -47.59 81.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.537 0.208 . . . . 10.0 111.064 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.525 HD23 HD11 ' A' ' 127' ' ' LEU . 31.9 tp -59.4 -42.82 92.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.027 0.442 . . . . 10.0 110.291 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.694 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 69.4 t80 -66.04 -40.81 91.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.579 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -61.31 -39.41 90.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.552 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.571 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 66.4 mttm -62.0 -47.5 84.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.969 0.414 . . . . 10.0 110.331 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -63.42 -45.5 90.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.556 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.63 78.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.39 -49.83 75.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.72 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.98 -45.61 84.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.854 -0.338 . . . . 10.0 110.704 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -57.33 -45.01 84.71 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.247 0.342 . . . . 10.0 111.765 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.418 HG22 ' HB2' ' A' ' 48' ' ' LYS . 23.2 m -63.74 -35.94 82.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.123 0.487 . . . . 10.0 110.824 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.42 19.44 9.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.077 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -130.56 -41.94 1.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.312 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -117.53 12.37 14.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.749 0.309 . . . . 10.0 111.288 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -101.22 152.76 18.95 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.586 -0.816 . . . . 10.0 112.352 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.84 161.5 2.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.715 -0.846 . . . . 10.0 108.715 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.458 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 19.2 t0 -59.28 147.55 35.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 10.0 111.491 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.499 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 23.1 ttt180 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.885 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.751 0.31 . . . . 10.0 110.524 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' B' ' 2' ' ' GLN . 6.1 tt0 -97.35 126.36 42.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.907 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.4 pt -123.14 160.59 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.084 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -122.19 118.54 28.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.936 0.398 . . . . 10.0 110.934 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.3 t -103.99 117.11 48.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -102.51 127.88 49.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.075 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.506 HG22 HD23 ' B' ' 69' ' ' LEU . 32.5 p -89.4 166.31 13.8 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.723 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.423 HD11 HG13 ' B' ' 70' ' ' VAL . 86.4 mt -63.04 -23.74 67.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 10.0 110.668 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -6.96 52.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.296 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.74 -31.16 8.47 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.285 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -56.79 117.57 4.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.965 0.412 . . . . 10.0 111.484 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -103.27 122.88 45.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.6 pt -103.26 152.56 5.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.067 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -102.09 130.3 48.64 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.558 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 tp -133.01 145.95 51.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.855 0.36 . . . . 10.0 110.82 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -109.88 106.18 15.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.068 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.828 HG12 ' HE3' ' B' ' 29' ' ' LYS . 18.7 m -128.81 167.42 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.188 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.484 ' O ' HD12 ' B' ' 56' ' ' LEU . 19.4 mm-40 -116.89 158.39 44.01 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.21 -16.19 38.93 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.433 2.089 . . . . 10.0 111.595 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -88.79 -3.83 58.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.6 OUTLIER -77.05 130.14 37.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.831 0.348 . . . . 10.0 111.4 -179.489 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.24 151.37 26.86 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.2 mm -55.41 -41.63 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.777 0.322 . . . . 10.0 111.397 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.75 -32.94 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.174 0.511 . . . . 10.0 110.413 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -74.46 -36.82 63.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.96 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.37 -41.49 92.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.876 -0.602 . . . . 10.0 109.654 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -58.5 -41.34 85.13 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.887 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.35 97.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.729 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.828 ' HE3' HG12 ' B' ' 17' ' ' VAL . 15.4 mtmm -65.28 -33.77 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.229 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.18 -40.27 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -70.9 -29.19 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.197 0.522 . . . . 10.0 109.829 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.12 -42.72 99.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.328 -0.851 . . . . 10.0 111.733 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.609 ' HD3' ' HG2' ' B' ' 34' ' ' GLU . 0.0 OUTLIER -95.95 -52.3 4.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.1 0.778 . . . . 10.0 113.1 -179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.609 ' HG2' ' HD3' ' B' ' 33' ' ' LYS . 18.3 mm-40 -75.49 -59.32 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 10.0 111.569 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.29 -6.56 10.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.645 -0.788 . . . . 10.0 112.503 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -68.84 121.81 82.74 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.571 -0.159 . . . . 10.0 110.571 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 36.8 Cg_exo -62.56 138.09 68.18 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.917 2.411 . . . . 10.0 111.876 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.6 Cg_exo -55.84 -25.96 55.0 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.378 2.719 . . . . 10.0 113.163 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -68.3 -18.43 64.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.18 0.514 . . . . 10.0 110.64 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -112.13 8.71 20.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.785 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -97.72 105.48 17.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.308 -0.406 . . . . 10.0 112.073 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.531 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 48.0 ttt180 -110.46 93.77 4.66 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 177.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.479 ' HB3' HD12 ' B' ' 50' ' ' LEU . 54.1 mt -84.3 124.65 31.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.84 -0.618 . . . . 10.0 112.349 -178.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 34.3 mm -116.68 130.98 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.552 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -136.89 117.28 13.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.492 -0.322 . . . . 10.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.0 26.61 16.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.976 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.86 82.32 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.663 -0.78 . . . . 10.0 112.869 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -104.44 145.99 29.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.723 0.261 . . . . 10.0 110.724 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -88.67 127.83 35.59 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' B' ' 43' ' ' LEU . 48.4 mt -75.26 110.06 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.78 0.324 . . . . 10.0 110.998 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.9 131.72 40.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.261 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -48.94 -40.81 31.65 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.499 0.926 . . . . 10.0 113.499 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.1 9.27 67.01 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 114.932 0.733 . . . . 10.0 114.932 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.415 ' O ' HG12 ' B' ' 23' ' ' ILE . 4.0 mmp_? -103.85 163.36 12.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.582 0.691 . . . . 10.0 111.237 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.39 166.51 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.484 HD12 ' O ' ' B' ' 18' ' ' GLU . 91.2 mt -66.04 -28.71 69.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.989 0.423 . . . . 10.0 110.844 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -29.05 67.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.688 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.21 -43.04 92.29 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.129 0.49 . . . . 10.0 111.272 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.75 7.91 39.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.418 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.2 t30 58.04 44.82 18.85 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.536 0.684 . . . . 10.0 111.136 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -82.01 128.35 38.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.49 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.42 -165.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.329 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 151.21 35.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.011 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 68.49 19.08 8.86 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.777 -0.647 . . . . 10.0 112.317 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -78.56 130.97 36.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.43 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -93.72 114.69 27.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.089 0.471 . . . . 10.0 110.832 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 72.0 mt -98.33 143.47 28.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -103.01 116.49 32.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.68 0.276 . . . . 10.0 110.257 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.506 HD23 HG22 ' B' ' 7' ' ' THR . 52.8 tp -97.24 106.41 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.159 0.504 . . . . 10.0 111.376 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.531 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 45.1 t -93.32 118.07 38.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.718 -0.673 . . . . 10.0 109.279 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.31 113.68 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.298 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.337 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.703 0.287 . . . . 10.0 111.532 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -35.76 65.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.182 0.808 . . . . 10.0 113.182 -178.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mmm -56.48 -31.84 64.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.87 0.366 . . . . 10.0 111.977 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.513 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 12.2 ttt180 -91.56 -36.21 13.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.842 0.353 . . . . 10.0 110.173 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.6 t -57.98 -48.27 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.236 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.66 -38.54 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.948 0.404 . . . . 10.0 110.175 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -65.2 -51.04 63.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.876 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -62.66 -37.53 86.73 Favored 'General case' 0 N--CA 1.46 0.059 0 CA-C-O 120.487 0.185 . . . . 10.0 111.032 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.43 -55.7 25.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.167 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.547 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 14.6 tt0 -59.21 -36.82 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.301 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 1.1 t70 -64.54 -49.05 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.869 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.48 -24.76 64.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.71 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -73.97 -22.88 59.46 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.066 0.46 . . . . 10.0 110.39 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.547 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 78.1 mttt -78.25 -40.94 35.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.736 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.46 80.28 70.63 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.669 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.16 142.57 15.33 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.476 2.117 . . . . 10.0 112.4 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.831 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 37.1 Cg_endo -68.94 145.78 63.09 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.283 1.989 . . . . 10.0 111.182 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 27.8 Cg_exo -62.49 -0.97 2.17 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 123.262 2.641 . . . . 10.0 114.056 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -121.13 8.28 10.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.779 0.288 . . . . 10.0 111.779 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.831 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 17.6 tp -145.8 111.88 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.796 0.331 . . . . 10.0 110.561 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -128.51 173.25 10.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.316 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 m120 65.15 27.49 12.34 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.616 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.3 tp -67.94 105.28 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.19 0.519 . . . . 10.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.39 161.4 36.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.806 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.41 173.39 9.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.669 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 5.0 t70 -71.86 171.9 10.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -87.68 -24.1 23.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.948 0.404 . . . . 10.0 111.326 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.03 4.59 10.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -153.04 138.19 17.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.821 0.343 . . . . 10.0 111.132 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.47 -11.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.144 0.497 . . . . 10.0 110.5 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.01 5.18 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.452 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.669 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 45.6 t -120.17 115.81 48.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.765 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 44.6 m0 -97.95 141.8 30.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.398 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -125.76 121.59 33.79 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.411 -0.959 . . . . 10.0 108.411 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.54 165.79 32.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.936 0.398 . . . . 10.0 111.599 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.8 mt -111.83 120.25 41.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.11 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.7 tp -91.74 135.59 33.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 mp -122.26 93.93 48.22 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.24 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.39 150.91 59.15 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.615 2.21 . . . . 10.0 110.84 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.05 -29.4 13.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.834 0.35 . . . . 10.0 110.969 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.494 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 2.1 tp-100 -60.55 131.9 90.88 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.158 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 13.9 Cg_exo -70.32 144.75 51.93 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.824 2.349 . . . . 10.0 111.007 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -99.02 23.53 21.27 Favored 'Cis proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.926 -1.281 . . . . 10.0 111.908 -0.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -68.87 -13.0 62.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.037 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.537 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 1.4 p-80 -82.16 9.86 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.94 -33.65 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.855 0.359 . . . . 10.0 111.025 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 56.4 mmtt -135.53 -173.26 3.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.513 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.39 156.32 32.91 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.957 -0.386 . . . . 10.0 109.957 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -121.72 128.19 51.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.719 0.295 . . . . 10.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -85.23 130.53 34.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 pp -118.11 154.96 31.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.79 116.79 25.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.244 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.765 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 50.8 mt -102.14 114.27 41.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.67 115.51 30.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.089 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -92.23 124.93 58.25 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.713 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.74 153.42 33.72 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.312 2.008 . . . . 10.0 110.901 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.57 -15.46 50.1 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.526 2.151 . . . . 10.0 111.909 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.636 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.3 mp0 -94.52 18.38 11.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.11 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.482 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 27.2 t80 -68.68 143.8 95.42 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.482 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 60.2 Cg_endo -95.85 17.02 36.44 Favored 'Cis proline' 0 C--N 1.349 0.596 0 C-N-CA 124.097 -1.21 . . . . 10.0 113.101 0.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -68.57 -29.66 68.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.715 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -107.4 133.79 20.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.01 -0.995 . . . . 10.0 109.125 178.868 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.715 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 36.7 Cg_endo -66.33 145.82 78.86 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.756 2.304 . . . . 10.0 112.719 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.43 139.14 22.87 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.712 2.275 . . . . 10.0 111.882 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 49.8 mtm -89.94 106.97 18.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.288 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.652 HG12 HG23 ' A' ' 54' ' ' ILE . 47.4 mt -111.55 131.95 61.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.309 . . . . 10.0 110.67 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 9.7 ptmm? -144.17 162.18 36.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -96.42 134.74 39.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.677 0.275 . . . . 10.0 110.611 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 m -86.51 -35.21 19.71 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 m -82.75 139.26 33.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.07 -0.968 . . . . 10.0 110.754 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -70.52 106.95 3.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.456 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 75' ' ' HIS . 7.2 tt -110.15 121.51 63.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.056 0.455 . . . . 10.0 111.239 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -77.64 78.0 4.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.21 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.475 ' HB2' HG12 ' A' ' 73' ' ' ILE . 36.4 t60 -127.14 134.35 26.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.795 -179.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.608 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 21.5 Cg_endo -60.23 -16.24 39.36 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 123.212 2.608 . . . . 10.0 114.057 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -107.0 18.7 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.767 0.318 . . . . 10.0 111.213 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' A' ' 75' ' ' HIS . 24.9 t -135.71 142.93 37.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -89.5 168.55 12.09 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -60.13 -24.16 64.46 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.466 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 58.2 t30 -84.92 -24.17 28.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.2 0.524 . . . . 10.0 110.885 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.69 17.02 9.45 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.574 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -81.3 142.04 33.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.428 HG22 HG22 ' A' ' 78' ' ' VAL . 7.3 pt -132.03 144.57 36.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.146 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.433 ' HB2' HD11 ' A' ' 120' ' ' LEU . 50.7 m -107.61 95.64 5.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 99.989999999999995 110.18 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.721 ' HG ' HG22 ' A' ' 88' ' ' ILE . 16.4 tp -100.47 112.19 63.99 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.138 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.77 -33.23 79.95 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.435 2.757 . . . . 10.0 114.055 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.721 HG22 ' HG ' ' A' ' 86' ' ' LEU . 12.5 tt -66.26 -20.42 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.271 0.471 . . . . 10.0 112.271 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.541 HG12 ' HB3' ' A' ' 86' ' ' LEU . 29.2 pt -120.98 25.61 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.283 0.563 . . . . 10.0 110.648 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 84.2 p -77.3 155.49 32.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.516 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -72.09 -1.43 14.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.963 0.411 . . . . 10.0 112.053 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -117.7 -4.63 11.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.82 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -149.13 53.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.096 0.474 . . . . 10.0 110.886 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -119.27 137.15 53.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.917 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -124.82 128.9 24.77 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.903 179.181 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 25.6 Cg_exo -64.39 -10.41 23.85 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.054 2.503 . . . . 10.0 113.167 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -87.48 1.44 53.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.126 0.488 . . . . 10.0 111.28 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.6 m -85.57 135.47 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.117 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 7.5 mtpm? -90.6 156.25 18.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.343 -0.389 . . . . 10.0 109.972 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.5 m -61.16 -30.26 70.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.999 0.428 . . . . 10.0 111.32 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -35.84 80.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.658 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -68.05 -37.88 81.84 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.313 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.12 -45.07 99.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.91 -0.587 . . . . 10.0 109.918 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.48 -37.69 87.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.51 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 109' ' ' VAL . 27.6 tt0 -63.07 -51.57 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.161 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.83 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.059 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 111' ' ' VAL . 64.2 tp -62.27 -47.33 84.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.479 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -56.85 -35.02 68.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.999 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 105' ' ' GLU . 98.0 t -63.46 -49.07 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.374 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 110' ' ' LEU . 18.1 mt -69.05 -25.11 64.3 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 107' ' ' LEU . 78.0 t -71.99 -47.28 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.913 0.387 . . . . 10.0 110.358 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -79.48 -26.87 41.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.14 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -115.48 93.72 37.47 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.12 113.26 2.77 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.576 2.184 . . . . 10.0 111.985 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -75.21 102.52 5.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.42 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 pt -81.84 -7.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.865 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.455 ' HB2' ' OE1' ' A' ' 118' ' ' GLU . 5.2 mtp-105 -80.14 -53.28 6.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.455 ' OE1' ' HB2' ' A' ' 117' ' ' ARG . 1.7 mp0 -123.3 79.4 53.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.858 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -98.89 -177.17 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.108 2.539 . . . . 10.0 112.052 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.4 mp -103.33 -35.17 8.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.221 0.534 . . . . 10.0 109.584 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.409 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 16.8 mtp85 -119.34 104.23 10.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.895 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -61.76 -36.83 82.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.482 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.409 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 34.0 p-10 -60.22 -45.06 94.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.389 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.8 mp -71.01 -41.81 70.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.856 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.71 -49.59 74.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.469 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.16 -37.65 86.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.928 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.629 HD11 HD23 ' A' ' 134' ' ' LEU . 36.1 tp -59.63 -41.18 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.431 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.99 -30.41 70.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.902 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.79 -42.29 28.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.15 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -67.65 -60.21 2.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.721 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -139.56 99.43 7.77 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 120.777 0.322 . . . . 10.0 111.01 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.22 -29.62 90.87 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.029 2.486 . . . . 10.0 112.646 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -69.8 -48.73 58.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.833 -0.167 . . . . 10.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.629 HD23 HD11 ' A' ' 127' ' ' LEU . 31.2 tp -57.85 -44.08 86.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.905 0.383 . . . . 10.0 110.59 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.608 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 83.8 t80 -64.99 -44.92 87.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.073 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -59.69 -42.65 93.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -63.2 -43.73 97.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -66.26 -47.13 74.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.071 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.47 91.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -57.18 -51.76 68.04 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.541 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -59.46 -43.5 93.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.181 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -63.79 -40.82 97.58 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.091 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 48' ' ' LYS . 28.2 m -62.88 -40.95 99.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.931 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.6 mt -87.89 17.4 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.179 0.514 . . . . 10.0 110.816 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -116.26 -59.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.851 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.49 -15.19 14.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.845 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -63.45 145.63 50.02 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.185 -0.531 . . . . 10.0 113.705 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 17.0 t -77.69 149.1 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.208 -1.034 . . . . 10.0 108.208 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.462 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 15.3 t0 -57.8 144.64 37.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.63 0.252 . . . . 10.0 111.379 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.537 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 11.2 tpt180 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.147 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.608 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.0 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.829 0.347 . . . . 10.0 110.771 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.11 126.57 47.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.663 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.452 HG13 ' HB3' ' B' ' 15' ' ' LEU . 27.3 pt -127.06 169.64 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.435 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -122.25 137.3 54.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.863 0.363 . . . . 10.0 111.256 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -116.78 119.86 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -108.83 135.45 50.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.843 0.354 . . . . 10.0 111.209 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -100.63 -177.73 3.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.062 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.76 -13.47 60.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 10.0 112.164 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.1 p -93.77 -7.61 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.897 0.38 . . . . 10.0 110.702 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.91 -11.62 62.42 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.431 -0.668 . . . . 10.0 111.431 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -63.74 111.73 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -109.6 120.21 41.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.408 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 18.6 pt -110.58 159.07 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.944 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 142.76 26.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.452 ' HB3' HG13 ' B' ' 3' ' ' ILE . 13.9 tp -130.95 133.56 45.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.053 0.454 . . . . 10.0 111.956 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.84 103.91 15.91 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.411 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' B' ' 1' ' ' MET . 9.5 m -138.14 172.73 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.914 0.388 . . . . 10.0 111.049 -178.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' B' ' 56' ' ' LEU . 71.4 mm-40 -125.49 159.29 61.13 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -58.21 -27.46 80.58 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.144 1.896 . . . . 10.0 111.525 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.84 4.29 37.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.902 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -81.31 138.68 35.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.842 0.353 . . . . 10.0 111.059 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.62 150.62 22.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.127 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.726 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 51.4 mm -57.96 -33.61 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.669 0.271 . . . . 10.0 111.475 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.76 -36.04 81.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.937 0.398 . . . . 10.0 110.586 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -77.82 -32.01 51.98 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.39 -46.59 96.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.123 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -62.22 -38.34 88.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.281 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.44 95.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.558 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.89 -37.41 84.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.838 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.69 -39.61 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.35 -28.06 69.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.68 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.56 -47.7 53.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.097 -0.501 . . . . 10.0 112.082 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -83.34 -49.76 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.755 1.02 . . . . 10.0 113.755 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.04 -45.51 18.21 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.49 27.18 9.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.376 -0.916 . . . . 10.0 111.803 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -101.84 123.36 44.13 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -54.31 133.24 54.99 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.897 2.398 . . . . 10.0 112.232 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.09 -27.83 75.97 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.252 2.634 . . . . 10.0 112.959 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.38 -30.85 71.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.365 0.603 . . . . 10.0 110.777 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.456 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 43.6 mt-30 -95.38 6.26 49.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.174 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -96.15 99.39 11.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 10.0 112.0 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.64 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 53.5 ttt180 -98.24 87.7 3.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.652 ' HB3' HD12 ' B' ' 50' ' ' LEU . 37.3 mt -74.91 119.98 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.8 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.439 ' CD1' ' HG2' ' B' ' 49' ' ' GLN . 29.5 mm -118.73 131.53 71.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.102 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.637 ' HB3' HD21 ' B' ' 50' ' ' LEU . 85.4 t80 -138.6 127.49 23.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.987 -0.375 . . . . 10.0 109.987 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.4 27.51 15.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.538 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.44 7.03 88.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.056 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -116.61 150.27 38.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.718 -0.284 . . . . 10.0 110.502 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.439 ' HG2' ' CD1' ' B' ' 44' ' ' ILE . 22.5 mt-30 -84.01 141.98 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' B' ' 43' ' ' LEU . 45.8 mt -96.02 113.25 24.84 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.737 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.619 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 12.2 tt0 -78.93 132.33 36.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.308 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.726 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 14.8 m-20 -52.54 -33.37 45.16 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.704 0.631 . . . . 10.0 112.704 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.432 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -75.14 -18.79 80.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.945 -0.645 . . . . 10.0 113.154 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.619 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 5.1 mmp_? -85.84 162.52 18.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.254 0.55 . . . . 10.0 111.139 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 5.8 p -107.27 167.55 9.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.373 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.7 mt -63.32 -34.1 76.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.719 0.295 . . . . 10.0 110.954 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.7 p -67.89 -27.01 66.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.146 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' B' ' 55' ' ' THR . 31.0 m-20 -61.32 -40.83 95.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.651 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.405 ' HB2' HG13 ' B' ' 61' ' ' ILE . 95.0 m-85 -94.48 0.76 55.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.494 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 50.0 t30 65.88 40.83 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.393 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.405 HG13 ' HB2' ' B' ' 59' ' ' TYR . 46.7 mt -87.36 119.3 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.722 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -108.86 -169.43 1.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.666 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.608 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 15.6 pttp -70.82 161.9 30.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.78 0.324 . . . . 10.0 111.378 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.45 18.3 11.27 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.904 0.705 . . . . 10.0 112.904 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -92.78 150.22 20.78 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.9 m -112.2 117.06 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.896 0.379 . . . . 10.0 111.493 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 55.5 mt -95.73 147.38 23.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -103.44 123.02 46.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.655 0.264 . . . . 10.0 110.479 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 34.9 tp -102.47 102.91 13.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.207 0.527 . . . . 10.0 111.561 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.64 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 64.6 t -90.74 127.2 43.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.84 125.67 31.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.164 0.507 . . . . 10.0 111.889 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 11.3 ttp180 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.813 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.396 0.141 . . . . 10.0 111.372 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.45 -37.7 62.86 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.092 0.775 . . . . 10.0 113.092 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -55.05 -51.63 65.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.81 0.338 . . . . 10.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -68.13 -37.88 81.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.694 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.8 t -57.47 -46.64 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.94 -39.49 85.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 121.053 0.454 . . . . 10.0 110.269 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -64.02 -42.6 97.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.319 179.638 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.427 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 38.1 mt-10 -70.38 -34.22 72.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.0 0.428 . . . . 10.0 110.652 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.74 -52.98 61.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.583 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.75 -9.33 58.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.157 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 1.1 t70 -80.2 -55.29 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.44 HD21 ' HB3' ' A' ' 101' ' ' CYS . 84.6 mt -75.77 -17.63 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.443 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -70.56 -22.1 62.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 10.0 111.062 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -89.23 -38.63 14.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.696 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 69.3 mmtt -131.07 80.27 69.39 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.673 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -86.32 141.64 6.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.371 2.047 . . . . 10.0 111.805 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 33.2 Cg_endo -66.48 151.0 83.98 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.351 2.034 . . . . 10.0 111.201 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 48.0 Cg_exo -57.99 -24.19 64.11 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.911 2.408 . . . . 10.0 113.299 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -93.21 11.93 26.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.521 0.563 . . . . 10.0 112.521 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 tp -137.63 116.98 12.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.679 0.276 . . . . 10.0 110.257 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 22' ' ' ARG . 9.7 mmt180 -122.98 152.54 40.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.101 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.48 41.13 23.17 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.612 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.8 tp -74.76 94.82 2.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.849 0.357 . . . . 10.0 110.16 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -134.88 161.51 35.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.529 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.69 177.38 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.12 -0.326 . . . . 10.0 110.12 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.555 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 29.1 t70 -76.4 167.34 22.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.78 0.324 . . . . 10.0 110.959 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.85 -32.46 72.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.534 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.18 -38.5 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.508 0.559 . . . . 10.0 112.508 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.555 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 10.7 t-20 -93.68 123.32 36.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 10.0 111.263 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.58 -15.58 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 10.0 110.932 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.0 mt -90.35 5.87 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.293 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 54' ' ' ILE . 90.8 t -120.82 120.95 63.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.609 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 46.9 m0 -106.94 146.71 30.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.101 0.477 . . . . 10.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -124.21 125.8 45.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.903 -1.147 . . . . 10.0 107.903 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.4 153.25 35.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.834 -0.346 . . . . 10.0 111.479 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.2 mt -101.46 114.57 28.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.416 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.5 tp -84.67 133.75 34.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 mp -115.57 85.73 14.2 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.124 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.56 137.22 41.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.302 2.001 . . . . 10.0 110.296 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -88.12 -33.46 18.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.739 0.304 . . . . 10.0 111.396 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -60.88 126.87 86.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.979 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.36 152.57 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.416 2.077 . . . . 10.0 111.236 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -92.88 17.26 42.09 Favored 'Cis proline' 0 N--CA 1.461 -0.437 0 C-N-CA 123.74 -1.358 . . . . 10.0 112.33 0.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -73.12 -0.49 14.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.102 0.477 . . . . 10.0 110.988 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -84.21 -6.02 59.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.972 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.5 mt -81.61 -30.05 33.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 67.6 mmtt -137.73 -168.4 2.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.607 0.242 . . . . 10.0 111.03 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.85 154.84 43.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.823 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -124.95 121.01 33.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.528 -0.305 . . . . 10.0 110.728 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -79.3 139.12 37.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.674 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pp -120.24 152.81 37.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.834 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 53' ' ' ARG . 10.9 ttt180 -116.6 113.77 23.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.337 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.636 HG23 HG12 ' A' ' 67' ' ' ILE . 39.5 mt -99.4 113.37 34.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.06 107.98 18.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.896 0.379 . . . . 10.0 110.871 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -83.75 132.91 47.46 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.811 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 94.2 Cg_endo -82.83 150.08 14.2 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.311 2.008 . . . . 10.0 110.833 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -59.86 -18.11 47.52 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.53 2.153 . . . . 10.0 112.628 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.5 mp0 -84.66 5.02 29.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.587 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 15.6 t80 -56.0 137.17 73.29 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 110.343 -0.243 . . . . 10.0 110.343 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 65.3 Cg_endo -99.58 27.58 15.73 Favored 'Cis proline' 0 C--N 1.35 0.615 0 C-N-CA 124.241 -1.149 . . . . 10.0 113.565 0.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -76.09 -25.58 55.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 1.8 mmmm -118.78 137.74 25.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.672 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 37.5 Cg_endo -66.61 146.03 77.99 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.856 2.371 . . . . 10.0 112.927 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.595 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 58.2 Cg_endo -73.39 137.54 25.81 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.628 2.219 . . . . 10.0 111.601 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.0 mtm -84.76 107.61 17.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.502 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.636 HG12 HG23 ' A' ' 54' ' ' ILE . 55.4 mt -111.18 129.62 66.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.739 0.304 . . . . 10.0 110.47 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -139.51 165.06 28.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.864 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -91.12 135.38 33.81 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 121.039 -0.265 . . . . 10.0 111.039 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -89.63 -33.6 16.61 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.769 -0.826 . . . . 10.0 108.769 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 m -90.8 138.17 31.79 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.179 -0.919 . . . . 10.0 109.597 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -70.27 114.64 8.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.755 0.312 . . . . 10.0 110.682 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.6 tt -118.5 128.31 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.212 0.53 . . . . 10.0 111.643 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -81.75 79.88 8.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.315 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.566 ' HB3' HG23 ' A' ' 78' ' ' VAL . 22.1 t60 -124.8 138.55 31.57 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.95 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 37.9 Cg_endo -66.36 -0.43 4.26 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.138 2.559 . . . . 10.0 113.557 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -120.72 15.45 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.989 0.423 . . . . 10.0 110.31 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.566 HG23 ' HB3' ' A' ' 75' ' ' HIS . 26.1 t -132.89 147.3 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 108.433 -0.951 . . . . 10.0 108.433 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.16 174.36 7.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.694 0.283 . . . . 10.0 110.902 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.48 -32.06 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 10.0 111.983 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.61 -49.36 26.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.956 0.408 . . . . 10.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.51 20.66 0.69 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.821 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -86.49 146.65 26.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 10.0 110.3 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.0 pt -137.36 157.41 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.493 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 m -119.62 127.81 53.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.112 -0.494 . . . . 99.989999999999995 109.671 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.498 ' HB2' HG12 ' A' ' 89' ' ' ILE . 5.5 mp -128.55 121.22 21.14 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.951 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -61.24 -26.3 81.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.721 2.281 . . . . 10.0 111.768 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.498 HG22 ' HB3' ' A' ' 86' ' ' LEU . 19.6 tt -67.83 -25.74 33.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.877 -0.601 . . . . 10.0 112.056 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.498 HG12 ' HB2' ' A' ' 86' ' ' LEU . 33.4 pt -123.2 21.17 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 10.0 110.7 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.9 p -74.52 149.86 40.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.366 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -11.38 54.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.073 0.463 . . . . 10.0 110.97 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -100.85 -5.27 26.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.144 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -163.59 103.15 0.93 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.861 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -150.08 138.29 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.509 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.461 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 74.6 mttt -120.76 123.48 27.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 27.3 Cg_exo -64.2 -12.81 34.45 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.826 2.351 . . . . 10.0 112.396 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.73 -0.27 57.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.518 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.461 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 4.0 m -82.38 127.05 32.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.845 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 38.8 mtpt -92.09 161.11 14.9 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 178.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -57.39 -33.02 67.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.953 0.406 . . . . 10.0 111.333 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.44 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -59.48 -33.29 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.4 179.743 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -75.24 -41.13 58.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.373 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.46 ' HA ' HD13 ' A' ' 88' ' ' ILE . 21.6 t -63.49 -45.54 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.455 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.93 -38.08 89.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.821 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 109' ' ' VAL . 31.0 tt0 -65.96 -46.91 76.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.116 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.28 83.59 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.55 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 111' ' ' VAL . 67.7 tp -64.95 -45.43 85.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.324 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -55.21 -39.48 69.71 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.723 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 105' ' ' GLU . 58.3 t -64.7 -44.61 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.232 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.72 -28.46 69.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 10.0 111.562 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 107' ' ' LEU . 97.0 t -76.07 -48.43 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.942 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -73.91 -27.62 61.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.17 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 113' ' ' ARG . 15.4 mmm180 -118.92 92.79 45.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.56 116.15 3.93 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.655 2.237 . . . . 10.0 111.641 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.37 106.56 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.423 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 19.1 pt -85.16 -11.0 11.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.612 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -75.04 -60.03 2.47 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.99 80.19 34.03 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.717 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -94.03 174.85 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.792 2.328 . . . . 10.0 111.759 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.6 mp -98.57 -12.68 20.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.24 0.543 . . . . 10.0 109.85 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.577 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 17.6 mtp180 -130.93 115.5 16.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.007 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 88.0 mtp -74.5 -11.15 60.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.438 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.577 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 33.6 p-10 -90.68 -57.11 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.54 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.557 HD22 ' HD3' ' A' ' 121' ' ' ARG . 5.7 mp -62.17 -40.34 95.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.895 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.28 89.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.695 0.283 . . . . 10.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.09 -41.49 74.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.254 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.21 -40.98 95.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.364 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.44 -38.62 91.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.319 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -35.19 62.16 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.981 -0.287 . . . . 10.0 111.105 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -70.63 -52.55 20.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.938 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -148.38 97.23 3.82 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.407 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.45 -38.64 93.78 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.287 2.658 . . . . 10.0 113.284 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 137' ' ' LYS . 28.5 tp10 -64.48 -43.14 95.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.73 -0.214 . . . . 10.0 111.308 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.0 tp -59.22 -45.92 89.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.012 0.434 . . . . 10.0 110.325 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.553 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 74.7 t80 -66.19 -41.29 90.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.992 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.454 HH12 ' CD ' ' A' ' 140' ' ' GLU . 23.7 ttp85 -61.04 -35.12 76.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 133' ' ' GLU . 61.9 mttm -63.23 -53.75 48.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 10.0 111.051 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -61.18 -42.64 98.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.138 0.494 . . . . 10.0 109.833 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.14 83.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.971 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.454 ' CD ' HH12 ' A' ' 136' ' ' ARG . 18.5 tt0 -62.53 -48.61 78.77 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.806 0.336 . . . . 10.0 110.271 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 5.0 tt0 -61.93 -42.15 98.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.986 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.09 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.649 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 32.7 m -63.43 -39.31 94.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.248 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 94.2 mt -81.35 -13.69 58.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.005 0.431 . . . . 10.0 111.726 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 1.3 ttp180 -92.13 -55.89 3.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -99.69 -23.02 15.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -60.4 140.52 48.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.127 -0.559 . . . . 10.0 113.408 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 10.5 t -81.01 152.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.782 -0.821 . . . . 10.0 108.782 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.81 133.54 51.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.713 0.292 . . . . 10.0 111.438 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 150' ' ' ARG . 11.2 ttt180 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.259 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.61 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.8 ptt? . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.855 0.359 . . . . 10.0 110.641 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -85.35 127.52 34.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 10.0 112.393 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.9 pt -129.27 162.67 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -119.51 131.47 55.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.53 0.205 . . . . 10.0 110.776 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.572 ' HB ' HG13 ' B' ' 13' ' ' ILE . 52.7 t -113.68 112.05 38.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -99.65 131.0 45.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.045 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 55.2 p -96.39 175.27 6.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.445 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.589 HD11 HG13 ' B' ' 70' ' ' VAL . 94.2 mt -72.29 -15.42 61.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.965 0.412 . . . . 10.0 110.703 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.59 10.41 30.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.147 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.24 -38.75 3.06 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.014 -0.612 . . . . 10.0 112.375 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -46.4 115.12 0.94 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.11 0.564 . . . . 10.0 111.254 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -108.64 119.55 39.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.713 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.572 HG13 ' HB ' ' B' ' 5' ' ' VAL . 21.6 pt -104.98 155.77 6.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.968 0.413 . . . . 10.0 111.405 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.46 142.78 30.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.185 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.706 HD11 ' HB3' ' B' ' 29' ' ' LYS . 19.3 tp -139.51 139.52 36.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.008 0.432 . . . . 10.0 111.703 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -99.18 107.94 20.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.568 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.9 m -137.66 168.71 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.2 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 23.4 mm-40 -125.14 154.69 71.68 Favored Pre-proline 0 C--N 1.319 -0.757 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 79.1 Cg_exo -52.0 -29.08 34.5 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.671 2.247 . . . . 10.0 113.034 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.31 -0.74 47.02 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.933 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -76.7 140.58 40.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.71 0.29 . . . . 10.0 110.316 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.41 ' O ' HG23 ' B' ' 26' ' ' VAL . 8.3 p -87.5 151.02 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.257 -0.645 . . . . 10.0 109.257 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 41.8 mm -58.33 -33.19 46.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.051 0.453 . . . . 10.0 110.244 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.626 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 1.0 OUTLIER -61.33 -43.61 98.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.142 178.381 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -69.65 -34.64 74.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 10.0 109.987 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 22' ' ' THR . 75.9 t -60.64 -44.14 96.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.582 178.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.65 -42.05 96.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.361 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.82 92.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.316 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.706 ' HB3' HD11 ' B' ' 15' ' ' LEU . 95.4 mttt -65.17 -35.47 81.18 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.219 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.1 mt -69.41 -41.72 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -64.8 -28.36 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.477 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.93 -34.06 77.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.813 -0.631 . . . . 10.0 112.191 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' B' ' 33' ' ' LYS . 15.6 ptpt -106.63 -40.32 5.57 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -89.16 -30.89 18.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.67 -10.92 73.52 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.625 -0.797 . . . . 10.0 113.025 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 25.4 mt -63.55 119.5 54.29 Favored Pre-proline 0 C--N 1.33 -0.258 0 C-N-CA 122.282 0.233 . . . . 10.0 111.089 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 25.0 Cg_exo -65.04 139.84 63.06 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.779 2.319 . . . . 10.0 111.528 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.23 -24.18 40.57 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.351 2.7 . . . . 10.0 112.974 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.66 -26.53 67.84 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.295 0.569 . . . . 10.0 110.498 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -109.28 16.32 22.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.862 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -104.49 108.52 20.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.601 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.541 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 54.7 ttt-85 -110.13 91.84 3.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.629 ' HB3' HD12 ' B' ' 50' ' ' LEU . 38.3 mt -82.07 119.9 24.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.943 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -119.45 132.24 69.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.188 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.498 ' HB3' HD21 ' B' ' 50' ' ' LEU . 79.7 t80 -149.19 134.12 18.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.914 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.19 37.17 26.23 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.145 0.498 . . . . 10.0 111.255 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.3 58.41 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.469 -0.787 . . . . 10.0 113.453 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -122.81 159.32 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.694 0.283 . . . . 10.0 110.859 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -92.43 134.44 34.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.065 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' B' ' 43' ' ' LEU . 60.2 mt -81.5 108.32 14.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.624 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 42.4 tt0 -73.93 134.13 43.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.276 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.626 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 3.5 m-20 -52.53 -41.49 63.54 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.75 -4.59 71.48 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.992 -0.623 . . . . 10.0 113.788 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.48 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 4.9 mmp_? -96.7 157.05 16.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.862 0.363 . . . . 10.0 110.432 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 34.5 p -102.54 174.4 5.91 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 89.7 mt -64.95 -35.5 81.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 10.0 110.831 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.0 m -68.6 -22.0 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.314 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.8 m-20 -62.67 -36.4 82.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.96 0.409 . . . . 10.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -104.09 10.87 35.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.665 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 56.52 52.48 9.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.64 0.733 . . . . 10.0 110.498 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.6 mt -96.01 110.46 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.098 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.92 -167.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.61 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 3.1 pttp -82.12 161.66 22.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.613 -0.435 . . . . 10.0 110.587 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 1.1 mp0 74.95 4.9 4.33 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.683 0.614 . . . . 10.0 112.114 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -78.16 140.22 38.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -104.17 107.69 18.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.01 0.433 . . . . 10.0 110.741 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 45.3 mt -84.74 148.82 26.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.869 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -104.8 114.79 29.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -98.96 107.21 19.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.1 0.476 . . . . 10.0 111.471 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.589 HG13 HD11 ' B' ' 8' ' ' LEU . 15.3 t -97.76 135.42 32.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.372 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.27 134.09 34.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.748 0.308 . . . . 10.0 111.398 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.69 179.743 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.707 0.289 . . . . 10.0 111.291 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -58.2 -32.0 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.946 -179.449 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 43.6 ttm -57.77 -45.15 86.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.08 -35.28 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.058 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.83 -44.29 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.374 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 3' ' ' SER . 92.3 t -63.44 -35.71 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.189 0.519 . . . . 10.0 109.756 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -65.58 -50.5 64.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.619 -0.718 . . . . 10.0 109.904 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 44.6 mt-10 -63.29 -33.82 76.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.473 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.8 tp -60.65 -51.36 69.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.516 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.59 -37.89 87.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.435 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.69 -40.38 87.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.365 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 mt -87.58 -28.05 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.618 0.599 . . . . 10.0 112.618 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -77.12 -40.55 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.964 -0.294 . . . . 10.0 111.694 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -75.9 -20.15 58.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.149 0.5 . . . . 10.0 110.672 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -140.06 73.36 32.6 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.743 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 72.2 Cg_endo -77.82 145.7 22.92 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.797 2.331 . . . . 10.0 113.237 -178.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 21' ' ' LEU . 3.4 Cg_exo -79.29 152.86 24.01 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 123.153 2.569 . . . . 10.0 110.733 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 38.2 Cg_exo -62.82 -21.21 72.89 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.954 2.436 . . . . 10.0 112.621 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -99.31 7.78 45.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.527 HD22 HD13 ' A' ' 104' ' ' LEU . 13.2 tp -139.77 114.01 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.774 0.321 . . . . 10.0 111.041 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.96 164.33 25.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.407 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 64.95 29.64 12.24 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.296 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 48.6 tp -70.24 102.93 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.74 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.67 144.94 49.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.451 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.69 161.74 28.28 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.531 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 19.4 t70 -61.42 152.63 29.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.097 0.475 . . . . 10.0 110.91 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.91 -19.52 51.64 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.829 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.62 -42.79 3.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.854 0.359 . . . . 10.0 111.361 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.531 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 3.1 t-20 -106.31 154.53 20.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.022 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 p -103.67 -15.57 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.247 0.546 . . . . 10.0 110.753 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 56' ' ' PHE . 92.4 mt -93.22 7.89 42.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.879 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.1 t -120.18 120.77 63.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.178 -0.464 . . . . 10.0 109.973 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.752 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 47.2 m0 -108.65 150.89 26.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.835 0.35 . . . . 10.0 111.075 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -133.69 124.31 26.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 24' ' ' LEU . . . -150.39 164.5 35.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.969 0.414 . . . . 10.0 111.735 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.9 mt -106.84 124.65 49.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.347 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 31.3 tp -90.98 136.29 33.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.592 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mp -113.24 89.73 15.08 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.603 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 12.2 Cg_exo -71.69 146.14 48.09 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.548 2.165 . . . . 10.0 110.637 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.98 -34.26 10.5 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 111.627 0.232 . . . . 10.0 111.627 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 5.5 tp-100 -59.73 119.82 44.01 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 31.2 Cg_exo -61.56 146.46 96.92 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.561 2.174 . . . . 10.0 110.791 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -94.66 19.63 34.44 Favored 'Cis proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.666 -1.389 . . . . 10.0 112.717 0.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -70.14 -5.49 27.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.017 0.437 . . . . 10.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -79.0 -20.22 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.19 -47.47 76.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 62.4 mmtt -124.07 -170.69 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.791 0.329 . . . . 10.0 111.347 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.23 164.86 19.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -130.03 141.84 50.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.654 0.264 . . . . 10.0 111.063 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -91.79 137.96 31.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.032 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -127.67 152.5 47.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.949 0.404 . . . . 10.0 111.057 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 53' ' ' ARG . 3.7 ttt180 -117.84 117.94 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.631 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.752 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 58.5 mt -100.39 111.85 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.73 111.68 23.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.775 0.322 . . . . 10.0 111.383 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.441 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 80.2 m-85 -88.13 127.13 58.53 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.376 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.517 ' HB2' ' OE1' ' A' ' 59' ' ' GLU . 82.2 Cg_endo -77.93 152.55 28.48 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.424 2.083 . . . . 10.0 111.466 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.43 -20.11 67.09 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.799 2.333 . . . . 10.0 112.664 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.764 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 2.0 mp0 -86.93 10.05 17.46 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.722 0.296 . . . . 10.0 111.507 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.602 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 10.9 t80 -60.1 142.4 89.49 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.602 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 94.2 Cg_endo -96.67 22.07 27.05 Favored 'Cis proline' 0 N--CA 1.459 -0.52 0 C-N-CA 124.297 -1.126 . . . . 10.0 113.607 0.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -78.55 -18.13 55.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.294 0.568 . . . . 10.0 110.359 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.764 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -116.8 130.16 24.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.386 -0.825 . . . . 10.0 108.806 178.696 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.68 143.29 96.39 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.022 2.481 . . . . 10.0 112.985 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 54.5 Cg_endo -70.91 140.3 38.05 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.581 2.187 . . . . 10.0 111.57 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mtm -93.17 101.81 14.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.655 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.562 HG12 HG23 ' A' ' 54' ' ' ILE . 47.3 mt -106.68 129.57 59.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.241 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.423 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 11.7 ptmm? -140.19 162.45 35.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.799 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -86.94 137.61 32.22 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.17 2.81 43.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.943 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.85 161.59 25.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.169 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -81.77 90.46 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 10.0 111.092 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.455 HG23 HG11 ' A' ' 78' ' ' VAL . 5.7 tt -105.21 116.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.142 0.496 . . . . 10.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.2 87.5 6.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.613 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -126.21 136.82 29.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.547 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.499 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 15.3 Cg_endo -57.1 -16.37 21.1 Favored 'Trans proline' 0 N--CA 1.477 0.536 0 C-N-CA 123.296 2.664 . . . . 10.0 113.826 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -115.34 21.37 14.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.646 0.26 . . . . 10.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.455 HG11 HG23 ' A' ' 73' ' ' ILE . 90.6 t -133.57 136.21 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.215 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.408 ' HB3' ' HB2' ' A' ' 83' ' ' GLN . 12.8 t70 -80.98 161.48 24.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.559 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -58.37 -30.63 66.93 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -89.43 -0.68 57.66 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.012 0.434 . . . . 10.0 111.344 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.2 15.23 48.79 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.583 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 7.8 mm100 -78.0 140.51 39.18 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.413 HG22 HG22 ' A' ' 78' ' ' VAL . 22.9 pt -134.13 170.47 19.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.866 0.365 . . . . 10.0 111.33 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.507 ' HB2' HD11 ' A' ' 120' ' ' LEU . 18.9 m -127.67 116.11 19.78 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.128 -1.064 . . . . 99.989999999999995 108.128 178.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.784 ' HG ' HG22 ' A' ' 88' ' ' ILE . 15.4 tp -131.2 109.83 15.21 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.752 0.31 . . . . 10.0 110.835 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.454 ' HD2' HD12 ' A' ' 86' ' ' LEU . 11.5 Cg_endo -54.34 -30.49 63.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.553 2.836 . . . . 10.0 113.939 -178.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.784 HG22 ' HG ' ' A' ' 86' ' ' LEU . 12.9 tt -68.02 -25.18 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.418 HG12 ' HB3' ' A' ' 86' ' ' LEU . 16.6 pt -117.18 25.19 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 121.24 0.543 . . . . 10.0 110.706 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.9 p -74.84 159.85 31.4 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.354 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m -82.51 7.67 13.79 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.126 0.489 . . . . 10.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -42.78 3.44 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.132 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.2 32.78 5.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.364 -0.38 . . . . 10.0 112.006 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -77.53 136.39 38.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.223 0.535 . . . . 10.0 111.683 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.434 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 46.0 mtpt -126.31 113.97 23.51 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.414 -0.958 . . . . 10.0 108.414 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.4 -23.14 53.7 Favored 'Trans proline' 0 N--CA 1.475 0.398 0 C-N-CA 123.391 2.727 . . . . 10.0 113.42 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.9 p -72.09 -21.64 61.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.279 -0.418 . . . . 10.0 111.495 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 1.8 m -73.94 132.2 42.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.003 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 60.1 mtpt -102.23 166.44 10.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.119 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -57.22 -29.24 63.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.63 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.22 76.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.051 0.453 . . . . 10.0 110.764 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -78.6 -34.33 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.735 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.77 -48.6 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.614 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.527 HD13 HD22 ' A' ' 21' ' ' LEU . 87.7 mt -62.47 -32.5 73.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.104 0.478 . . . . 10.0 110.941 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 109' ' ' VAL . 38.1 tt0 -66.64 -49.28 66.73 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.01 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.92 86.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.255 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 111' ' ' VAL . 63.0 tp -61.66 -47.02 87.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.786 178.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -37.94 75.51 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.573 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 105' ' ' GLU . 76.8 t -63.48 -47.76 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.669 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.19 -25.27 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.192 0.441 . . . . 10.0 112.192 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 107' ' ' LEU . 63.8 t -74.02 -47.24 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -74.94 -36.38 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.664 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -114.94 91.74 27.74 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.994 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.33 123.64 11.78 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.608 2.205 . . . . 10.0 112.314 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -79.51 108.77 13.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.518 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 30.3 pt -83.62 -10.85 11.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.659 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.0 mtp-105 -72.47 -51.34 20.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.214 0.53 . . . . 10.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -125.41 79.97 66.1 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.552 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -93.7 159.28 2.34 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.815 2.343 . . . . 10.0 112.099 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 85' ' ' CYS . 10.0 mp -90.74 -29.27 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.499 0.666 . . . . 10.0 109.286 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.481 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 15.0 mtp180 -120.45 105.2 10.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.193 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -33.07 75.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.384 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.481 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 14.8 p-10 -63.35 -47.35 82.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.406 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.666 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 2.3 mp -72.78 -39.39 66.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.798 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.5 94.01 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.056 0.455 . . . . 10.0 110.505 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.66 -51.96 59.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.118 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 48.5 tp -57.58 -39.94 77.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.3 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 tp -58.87 -39.5 81.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.316 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m -84.13 -33.61 24.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.562 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -71.76 -46.89 57.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.866 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -147.59 95.34 4.29 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.39 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.83 -36.94 99.06 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.998 2.465 . . . . 10.0 112.197 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -68.68 -44.69 73.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.089 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.98 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.076 0.465 . . . . 10.0 110.154 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.666 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 88.1 t80 -65.81 -41.65 91.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.843 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -59.78 -44.44 93.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.01 -41.47 90.95 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.737 0.303 . . . . 10.0 110.807 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -61.08 -49.95 75.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 10.0 109.832 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.64 75.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.203 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.05 -43.94 95.03 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.931 0.396 . . . . 10.0 109.983 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 10.9 tt0 -60.51 -48.55 81.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.93 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -42.75 99.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.741 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.9 m -62.97 -39.06 93.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.585 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 75.0 mt -89.02 3.93 50.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.132 0.492 . . . . 10.0 111.353 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 30.8 ttt180 -110.67 -47.95 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.486 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -123.13 29.58 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.68 0.276 . . . . 10.0 111.28 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -103.8 151.97 17.74 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.554 -0.832 . . . . 10.0 112.18 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 13.2 t -87.14 148.97 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -55.79 133.44 51.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.711 0.291 . . . . 10.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.087 -179.827 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.0 ptt? . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.829 0.347 . . . . 10.0 110.575 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -86.61 130.09 34.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.955 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.6 pt -127.25 172.52 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' B' ' 66' ' ' THR . 39.6 m-85 -123.02 134.6 54.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.903 0.382 . . . . 10.0 111.009 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.448 ' HB ' HG13 ' B' ' 13' ' ' ILE . 32.1 t -117.66 110.57 31.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -100.99 130.79 47.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.093 0.473 . . . . 10.0 111.261 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -91.95 171.47 9.1 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.047 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.576 HD11 HG13 ' B' ' 70' ' ' VAL . 48.1 mt -72.49 -13.68 61.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.919 0.39 . . . . 10.0 111.083 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -0.37 57.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.389 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.4 -17.77 58.31 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.92 -0.657 . . . . 10.0 113.35 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -67.91 113.8 5.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.778 0.323 . . . . 10.0 110.455 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -105.29 114.66 28.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.717 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.448 HG13 ' HB ' ' B' ' 5' ' ' VAL . 27.2 pt -103.52 144.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.048 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.5 137.01 32.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.517 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' B' ' 29' ' ' LYS . 14.3 tp -133.67 136.98 45.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.812 0.339 . . . . 10.0 110.771 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -109.58 113.68 26.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.36 0.6 . . . . 10.0 110.378 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.7 m -132.92 -177.29 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.29 -178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.479 ' O ' HD12 ' B' ' 56' ' ' LEU . 23.1 mm-40 -131.35 160.64 66.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.37 -25.82 67.67 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.804 2.336 . . . . 10.0 112.795 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.93 9.96 33.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.654 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -83.82 138.13 33.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.246 -0.279 . . . . 10.0 110.246 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.415 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -89.43 150.56 22.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.57 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.409 HD12 HD13 ' B' ' 50' ' ' LEU . 51.1 mm -56.69 -38.11 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 10.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -60.42 -42.31 95.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.468 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.89 -34.93 76.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.924 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 22' ' ' THR . 76.7 t -60.76 -43.24 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.68 -42.67 97.58 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.532 -0.758 . . . . 10.0 110.105 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.35 84.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.782 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.549 ' HB3' HD11 ' B' ' 15' ' ' LEU . 94.2 mttt -64.59 -38.43 90.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.579 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.71 -36.47 70.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.039 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -65.56 -25.84 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.783 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.98 -51.49 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.645 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.462 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 7.5 ptpt -78.77 -44.23 23.76 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.74 1.015 . . . . 10.0 113.74 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -88.99 -53.1 4.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.774 0.321 . . . . 10.0 111.695 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.36 -9.26 20.15 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.468 -0.873 . . . . 10.0 112.535 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -68.29 123.27 87.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.2 Cg_exo -61.37 141.55 92.83 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.947 2.431 . . . . 10.0 112.141 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.1 Cg_exo -56.53 -25.89 61.04 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.577 2.851 . . . . 10.0 113.153 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -67.99 -33.28 74.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.394 0.616 . . . . 10.0 110.483 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -95.89 5.5 51.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.796 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 67.6 mt-30 -95.98 106.14 18.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.58 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.643 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 56.2 ttt180 -107.03 93.91 4.81 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.528 ' HB3' HD12 ' B' ' 50' ' ' LEU . 57.7 mt -84.33 121.53 27.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.176 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mm -116.85 131.94 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.653 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.562 ' HB3' HD21 ' B' ' 50' ' ' LEU . 73.8 t80 -141.05 125.89 18.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.74 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 35.31 25.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.487 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.14 3.12 68.41 Favored Glycine 0 CA--C 1.519 0.289 0 CA-C-N 115.653 -0.703 . . . . 10.0 112.864 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -110.93 145.9 37.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.767 0.318 . . . . 10.0 110.619 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -89.9 125.71 35.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.916 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' B' ' 45' ' ' PHE . 36.4 mt -75.2 126.31 30.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.273 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -85.97 134.0 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.175 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -43.17 58.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.56 24.04 11.18 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.712 -0.756 . . . . 10.0 113.804 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -114.15 162.99 15.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.021 0.41 . . . . 10.0 109.899 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.82 160.55 15.16 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.479 HD12 ' O ' ' B' ' 18' ' ' GLU . 65.0 mt -63.34 -22.13 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 10.0 110.649 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -31.27 68.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.243 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -60.58 -38.69 85.43 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.937 0.399 . . . . 10.0 111.454 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -97.49 5.87 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.986 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.7 t30 56.58 50.38 12.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.784 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.7 mt -84.23 111.7 20.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.26 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -92.15 -168.66 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.181 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.4 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 19.7 pttp -77.72 155.4 31.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.998 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 65.23 17.12 10.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.563 0.949 . . . . 10.0 113.563 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -77.27 150.82 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -113.04 112.1 23.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.244 0.545 . . . . 10.0 111.993 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.9 mt -93.01 143.62 26.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.518 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -100.33 123.28 44.36 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 tp -100.67 106.62 18.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.025 0.441 . . . . 10.0 111.747 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.643 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 50.4 t -94.27 126.92 46.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 tp -77.25 111.34 12.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 10.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.399 179.783 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.78 0.324 . . . . 10.0 111.232 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 7' ' ' VAL . 5.1 m -61.19 -30.19 70.27 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.5 mtt -57.1 -40.23 76.6 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.855 0.359 . . . . 10.0 110.873 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -80.01 -36.52 35.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.2 t -56.19 -51.22 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.803 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 3' ' ' SER . 40.9 t -62.11 -33.28 57.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.949 0.404 . . . . 10.0 110.509 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -68.97 -50.24 50.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.186 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.698 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.4 mt-10 -60.79 -39.31 88.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.56 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 14.6 tp -61.85 -46.92 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.528 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.52 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 9.9 tt0 -61.56 -39.28 90.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.228 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -61.11 -48.31 82.25 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 10.0 110.675 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.6 mt -71.17 -27.21 63.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.619 -0.719 . . . . 10.0 112.032 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -79.67 -28.7 40.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 10.0 111.339 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.52 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 85.9 mttt -75.29 -42.41 54.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.201 0.525 . . . . 10.0 109.741 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -127.81 80.23 72.36 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.053 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 65.1 Cg_endo -73.62 140.6 29.84 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.76 2.306 . . . . 10.0 113.196 -178.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 21' ' ' LEU . 12.3 Cg_exo -72.54 147.58 46.27 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.806 2.338 . . . . 10.0 110.396 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.6 Cg_exo -55.56 -34.73 90.88 Favored 'Trans proline' 0 N--CA 1.473 0.299 0 C-N-CA 122.746 2.297 . . . . 10.0 112.913 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -88.99 -1.08 57.94 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.496 ' HB3' ' HD2' ' A' ' 18' ' ' PRO . 15.4 tp -126.21 110.64 13.67 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.766 -0.373 . . . . 10.0 110.77 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -125.95 156.96 38.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.484 -0.326 . . . . 10.0 111.715 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.13 32.6 12.55 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.83 -0.623 . . . . 10.0 112.675 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.4 tp -73.57 111.42 8.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.025 0.44 . . . . 10.0 110.917 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.12 154.84 47.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.692 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.62 154.44 28.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.976 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.657 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 17.8 t70 -64.21 143.99 57.47 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.935 -0.394 . . . . 10.0 109.935 179.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.62 -30.94 71.73 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.65 -49.41 4.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.657 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 44.1 t30 -115.43 114.04 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.884 0.373 . . . . 10.0 111.896 -178.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.23 -17.07 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.86 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.75 -2.09 41.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.74 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 54' ' ' ILE . 80.5 t -114.85 121.44 66.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.713 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 48.0 m0 -103.93 142.55 34.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.912 0.387 . . . . 10.0 110.782 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -122.96 124.47 43.26 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.65 161.57 42.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.812 0.339 . . . . 10.0 111.413 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.89 123.88 49.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.215 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.511 ' HB2' HD23 ' A' ' 52' ' ' LEU . 27.4 tp -93.06 130.63 38.6 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mp -118.2 92.47 42.84 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.309 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.18 146.91 47.03 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.488 2.125 . . . . 10.0 110.362 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -95.3 -21.38 18.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.118 0.485 . . . . 10.0 110.929 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 58.2 tp60 -78.35 123.9 85.72 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.944 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 32.3 Cg_exo -62.62 154.42 65.22 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.617 2.212 . . . . 10.0 111.282 178.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -89.66 7.99 66.78 Favored 'Cis proline' 0 N--CA 1.463 -0.298 0 C-N-CA 123.72 -1.367 . . . . 10.0 112.619 0.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -70.46 -4.61 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.957 0.408 . . . . 10.0 111.058 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.12 -6.7 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.392 0.516 . . . . 10.0 112.392 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.4 mt -84.11 -33.17 24.38 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.183 0.438 . . . . 10.0 112.183 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 68.6 mmtt -131.35 -167.22 1.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.545 -0.298 . . . . 10.0 110.679 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.98 160.22 35.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.487 ' HD1' ' HB ' ' A' ' 71' ' ' THR . 83.6 m-85 -125.26 141.69 51.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.704 0.288 . . . . 10.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -93.62 128.0 39.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.005 0.431 . . . . 10.0 110.856 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.511 HD23 ' HB2' ' A' ' 38' ' ' LEU . 1.9 pp -111.26 146.54 36.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.98 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.95 109.94 18.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.512 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.713 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 48.4 mt -94.47 119.45 42.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.641 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.14 108.9 17.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.698 0.285 . . . . 10.0 111.566 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -84.42 129.2 58.63 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.33 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.692 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 90.7 Cg_endo -80.85 156.34 20.67 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.491 2.127 . . . . 10.0 111.447 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.78 -12.94 37.98 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.529 2.153 . . . . 10.0 112.188 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.6 mp0 -96.31 14.38 24.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.425 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.635 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 21.6 t80 -65.48 145.3 99.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.635 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 77.8 Cg_endo -94.21 15.49 42.96 Favored 'Cis proline' 0 C--N 1.345 0.378 0 C-N-CA 124.346 -1.106 . . . . 10.0 113.177 0.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -70.01 -32.74 71.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.77 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -105.6 132.36 20.95 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.368 178.849 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.742 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 37.5 Cg_endo -67.25 141.81 58.28 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.793 2.329 . . . . 10.0 112.871 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.692 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 54.8 Cg_endo -71.92 137.41 29.38 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.54 2.16 . . . . 10.0 111.514 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.7 mtm -88.72 106.69 18.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.915 0.388 . . . . 10.0 111.202 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.691 HG12 HG23 ' A' ' 54' ' ' ILE . 48.2 mt -104.24 126.89 58.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.825 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 11.5 ptmm? -136.36 164.86 27.13 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -94.56 136.22 35.11 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.148 -0.315 . . . . 10.0 110.148 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 m -89.66 -38.99 13.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.642 0.734 . . . . 10.0 109.454 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 146' ' ' PHE . 0.2 OUTLIER -83.69 153.89 23.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.94 179.625 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 72' ' ' LYS . 29.6 mmtm -82.56 106.13 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.967 0.413 . . . . 10.0 111.573 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.529 HG23 HG11 ' A' ' 78' ' ' VAL . 4.3 tt -109.75 120.85 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.857 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.03 83.47 5.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.458 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -126.32 137.38 30.16 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.413 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.477 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 19.6 Cg_endo -60.24 -9.43 10.48 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.256 2.638 . . . . 10.0 113.907 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 119' ' ' PRO . 14.2 m120 -119.47 19.73 12.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.719 0.295 . . . . 10.0 110.764 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.529 HG11 HG23 ' A' ' 73' ' ' ILE . 59.4 t -134.6 136.32 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.791 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.562 ' HB3' ' HB2' ' A' ' 83' ' ' GLN . 19.5 t70 -87.26 160.61 18.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.28 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -62.53 -21.01 65.22 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.332 0.864 . . . . 10.0 113.332 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.444 ' HB3' ' HG2' ' A' ' 83' ' ' GLN . 64.6 t30 -89.66 0.15 57.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.606 . . . . 10.0 110.254 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.82 15.6 57.74 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.339 -0.704 . . . . 10.0 111.339 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 11.5 mm100 -81.23 143.47 32.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.728 0.299 . . . . 10.0 110.283 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.1 pt -141.11 179.46 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.2 m -134.06 113.05 11.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.772 -0.649 . . . . 99.989999999999995 109.486 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 89' ' ' ILE . 96.4 mt -118.38 107.44 43.19 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.834 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.47 -18.34 45.93 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 123.127 2.552 . . . . 10.0 112.615 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.501 HD13 ' HA ' ' A' ' 103' ' ' VAL . 19.9 tt -75.27 -25.4 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.565 -0.289 . . . . 10.0 111.5 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.486 ' HB ' ' HB2' ' A' ' 64' ' ' PRO . 27.6 pt -127.15 28.27 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.366 0.603 . . . . 10.0 110.141 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.4 p -84.07 161.85 20.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.646 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -19.39 63.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.027 0.441 . . . . 10.0 110.344 179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.47 -34.23 21.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.782 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -140.51 111.84 7.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.263 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -155.78 137.99 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.721 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 52.6 mtpt -130.92 120.81 18.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.82 -17.99 53.72 Favored 'Trans proline' 0 N--CA 1.476 0.45 0 C-N-CA 123.131 2.554 . . . . 10.0 112.699 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -76.98 -9.92 59.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.446 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.2 m -85.24 136.08 33.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.047 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.698 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 54.8 mtpt -97.21 160.26 14.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.658 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.2 m -58.86 -28.35 66.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.371 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.28 -32.29 69.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.714 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -84.37 -32.57 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.537 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.501 ' HA ' HD13 ' A' ' 88' ' ' ILE . 41.0 t -65.51 -45.27 93.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.859 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.419 HD21 HD11 ' A' ' 54' ' ' ILE . 80.0 mt -64.84 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.457 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.33 -48.36 67.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.597 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.56 82.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.046 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 111' ' ' VAL . 63.6 tp -61.87 -47.42 85.1 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.021 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -59.8 -37.59 79.56 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.929 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.02 -45.67 96.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.496 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.14 -27.19 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.712 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 107' ' ' LEU . 70.2 t -74.67 -50.27 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.725 0.298 . . . . 10.0 110.828 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -71.92 -33.06 67.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.33 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -114.72 93.86 34.99 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.029 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.6 126.43 16.8 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 122.847 2.365 . . . . 10.0 112.562 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -84.64 102.76 13.18 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 pt -86.1 -8.46 11.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.888 0.375 . . . . 10.0 111.206 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.2 -43.17 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -126.3 74.55 73.15 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.03 -0.987 . . . . 10.0 109.418 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.457 ' HA ' ' ND2' ' A' ' 77' ' ' ASN . 93.3 Cg_endo -97.56 171.04 0.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.761 2.308 . . . . 10.0 112.747 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.8 mp -101.8 -28.78 12.24 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -120.26 95.62 4.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.51 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -58.08 -31.37 67.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.782 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -65.5 -48.79 71.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.069 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.4 mp -70.91 -31.22 67.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.616 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.6 -51.98 50.4 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.435 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.09 -35.68 81.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.699 0.285 . . . . 10.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.569 HD11 HD23 ' A' ' 134' ' ' LEU . 43.1 tp -60.29 -44.02 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.748 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 135' ' ' PHE . 50.7 tp -66.28 -29.24 69.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.018 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 m -80.65 -34.18 35.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.096 0.474 . . . . 10.0 110.373 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -75.71 -65.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -131.6 98.43 18.09 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.087 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.34 -42.27 70.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 123.159 2.573 . . . . 10.0 112.958 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.667 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 20.7 tp10 -61.78 -40.15 94.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.583 -0.281 . . . . 10.0 111.728 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.569 HD23 HD11 ' A' ' 127' ' ' LEU . 5.8 tp -60.21 -46.53 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 10.0 110.144 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.477 ' CZ ' ' HD3' ' A' ' 76' ' ' PRO . 73.5 t80 -69.29 -40.16 77.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.849 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -55.48 -48.75 74.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.028 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.667 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 61.6 mttm -66.75 -43.85 83.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -59.14 -44.56 92.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.613 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.67 -33.21 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.106 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -64.3 -44.74 90.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.807 0.337 . . . . 10.0 110.3 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.15 -40.15 80.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.802 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.6 -44.52 70.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.668 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.4 m -63.5 -38.6 91.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.633 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.08 -13.09 60.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.431 0.53 . . . . 10.0 112.431 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -108.36 -45.81 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.489 ' O ' HG22 ' A' ' 71' ' ' THR . 50.1 m-85 -107.14 18.48 21.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -105.63 151.37 17.1 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.733 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.493 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 3.6 t -85.32 154.78 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.928 -0.767 . . . . 10.0 108.928 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.43 149.28 39.0 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.783 -178.917 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.72 0.295 . . . . 10.0 110.323 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -95.89 130.82 42.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.059 0.457 . . . . 10.0 111.481 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 pt -124.48 161.22 28.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.734 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.44 ' HE2' ' HG3' ' B' ' 64' ' ' GLU . 94.7 m-85 -111.32 131.43 55.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.588 0.232 . . . . 10.0 110.639 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.53 ' HB ' HG13 ' B' ' 13' ' ' ILE . 24.0 t -114.69 115.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -103.5 123.43 46.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.935 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.452 HG22 HD23 ' B' ' 69' ' ' LEU . 39.8 p -92.95 168.66 11.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.066 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.479 HD11 HG13 ' B' ' 70' ' ' VAL . 91.3 mt -66.32 -16.59 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.048 0.451 . . . . 10.0 111.435 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.67 -1.63 57.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.87 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.08 -15.7 58.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.01 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -64.24 111.48 2.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.932 0.396 . . . . 10.0 109.948 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -102.63 118.76 37.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.795 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.53 HG13 ' HB ' ' B' ' 5' ' ' VAL . 31.1 pt -109.47 160.08 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.826 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.8 144.6 33.21 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 tp -137.24 139.16 40.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.618 0.247 . . . . 10.0 110.702 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -106.61 98.49 8.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 m -132.29 176.03 9.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.132 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 23.4 mm-40 -118.33 158.26 47.12 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 53.4 Cg_exo -54.92 -31.36 73.19 Favored 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 122.658 2.239 . . . . 10.0 112.934 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.55 1.01 23.92 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.9 OUTLIER -75.37 137.7 41.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.606 0.241 . . . . 10.0 110.664 179.575 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.6 148.56 27.09 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.531 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.8 mm -55.72 -36.45 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.665 0.269 . . . . 10.0 111.259 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -37.61 88.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.941 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -69.56 -37.96 77.22 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.89 -44.16 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.485 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.447 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 96.5 mttt -58.89 -43.11 90.92 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.661 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.56 90.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.955 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' B' ' 32' ' ' ASP . 64.9 mttm -68.18 -32.13 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.068 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 98.9 mt -69.18 -40.07 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -67.59 -25.28 65.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.301 0.572 . . . . 10.0 109.97 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 8.0 t70 -63.46 -39.35 94.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.591 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -99.84 -43.72 6.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.916 1.08 . . . . 10.0 113.916 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -89.94 -26.23 20.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 6.83 85.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.649 -0.786 . . . . 10.0 113.179 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.8 mt -76.16 120.7 82.81 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 122.722 -0.281 . . . . 10.0 110.617 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.503 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.9 Cg_exo -59.05 134.54 60.43 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.989 2.46 . . . . 10.0 112.207 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 23.6 Cg_exo -65.38 -18.22 59.68 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.089 2.526 . . . . 10.0 112.619 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -19.25 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.996 0.427 . . . . 10.0 111.377 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' B' ' 72' ' ' ARG . 35.1 mt-30 -120.48 15.57 12.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.212 0.529 . . . . 10.0 110.676 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 42.4 mt-30 -93.56 111.4 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.499 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 37.5 ttt180 -110.1 95.82 5.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.922 0.391 . . . . 10.0 110.053 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.702 ' HB3' HD12 ' B' ' 50' ' ' LEU . 35.4 mt -83.98 121.83 27.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.691 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.3 mm -117.11 131.7 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.495 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.57 ' HB3' HD21 ' B' ' 50' ' ' LEU . 79.0 t80 -136.12 120.26 17.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.103 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.95 27.11 14.25 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.444 0.465 . . . . 10.0 111.714 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.13 -5.3 85.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.152 -0.547 . . . . 10.0 112.634 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -97.75 145.26 26.54 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.793 -0.24 . . . . 10.0 110.369 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -86.29 125.67 33.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' B' ' 43' ' ' LEU . 44.5 mt -77.0 110.54 11.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.008 0.432 . . . . 10.0 111.264 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.758 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 0.9 OUTLIER -80.04 130.38 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.621 -179.426 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.531 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 3.8 m-20 -50.45 -37.0 35.95 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.376 0.88 . . . . 10.0 113.376 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.07 11.98 51.99 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.087 -0.577 . . . . 10.0 114.423 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.758 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 3.7 mmt180 -115.9 161.74 18.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.265 0.532 . . . . 10.0 110.718 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -102.85 171.72 7.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.973 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.513 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 77.5 mt -66.77 -31.03 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.884 0.374 . . . . 10.0 110.135 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -30.18 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.128 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -64.4 -39.0 93.01 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.993 0.425 . . . . 10.0 111.177 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -92.7 2.94 56.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.742 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 60.87 49.96 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.372 0.606 . . . . 10.0 110.793 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.2 mt -93.52 121.46 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.492 ' HG2' ' H ' ' B' ' 63' ' ' LYS . 40.4 tt0 -104.96 177.05 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.6 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.492 ' H ' ' HG2' ' B' ' 62' ' ' GLN . 10.5 pttp -67.51 160.08 28.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.394 -0.225 . . . . 10.0 110.394 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.44 ' HG3' ' HE2' ' B' ' 4' ' ' PHE . 0.4 OUTLIER 66.36 11.01 7.69 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.0 m -83.74 143.51 29.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -101.63 115.02 29.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.983 0.421 . . . . 10.0 111.973 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.9 mt -93.05 147.3 22.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -103.32 122.19 44.29 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 121.031 -0.268 . . . . 10.0 110.336 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.452 HD23 HG22 ' B' ' 7' ' ' THR . 44.2 tp -101.73 99.73 10.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.061 0.458 . . . . 10.0 110.729 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 38.5 t -91.38 124.61 43.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.869 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 mp -82.21 116.73 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.397 . . . . 10.0 110.372 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' B' ' 40' ' ' GLN . 55.6 ttp180 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.427 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.74 0.305 . . . . 10.0 111.264 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -55.02 -36.14 65.16 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 ttm -53.49 -46.4 70.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.588 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.428 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 3.2 ttt180 -74.53 -32.41 62.47 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.637 -0.425 . . . . 10.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.46 -40.77 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.82 -39.69 86.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -64.7 -48.46 74.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.35 -41.07 92.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.063 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 53.6 tp -61.94 -52.58 63.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.229 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -58.94 -39.56 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.404 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.57 -47.87 82.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.524 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 101' ' ' CYS . 97.6 mt -80.38 -16.82 53.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.152 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 50.7 mm-40 -71.51 -45.96 60.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.009 0.433 . . . . 10.0 110.164 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -82.97 -26.36 31.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.328 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 60.9 mmtt -129.47 79.51 73.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.861 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -89.93 132.76 1.99 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.353 2.702 . . . . 10.0 112.343 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 35.1 Cg_endo -66.84 145.46 74.84 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.523 2.149 . . . . 10.0 111.145 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 32.9 Cg_exo -59.6 -10.18 10.87 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.364 2.709 . . . . 10.0 113.959 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -105.31 5.59 32.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.514 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 13.7 tp -140.32 112.02 7.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.022 0.439 . . . . 10.0 111.239 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -125.4 172.47 9.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.591 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 m120 61.63 22.05 12.62 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.638 0.586 . . . . 10.0 111.429 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.89 108.76 1.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.53 157.74 45.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.214 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.87 164.45 19.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.477 -0.329 . . . . 10.0 110.123 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.671 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 13.0 t70 -71.46 146.08 48.84 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.65 -28.09 67.42 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.616 0.598 . . . . 10.0 112.616 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.06 -11.67 14.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.671 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 47.9 t-20 -146.21 130.42 17.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.964 0.411 . . . . 10.0 111.441 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.97 -14.02 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.164 0.507 . . . . 10.0 110.25 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.3 mt -87.38 11.68 13.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.44 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 64.4 t -130.72 124.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.619 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 45.9 m0 -110.04 150.61 28.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.84 0.352 . . . . 10.0 111.37 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -131.81 123.59 27.9 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.53 162.03 41.41 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.882 0.372 . . . . 10.0 111.635 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 mt -107.12 121.47 44.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.983 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 21.6 tp -88.47 131.78 34.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.793 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mp -114.15 90.16 19.23 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 16.5 Cg_exo -68.95 158.34 58.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.348 2.032 . . . . 10.0 110.373 179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -109.54 -30.47 7.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.681 0.277 . . . . 10.0 111.414 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.468 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.9 tp-100 -61.58 126.61 87.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.495 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 17.5 Cg_exo -67.98 143.49 60.5 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.596 2.198 . . . . 10.0 111.249 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HB2' HD12 ' A' ' 47' ' ' LEU . 85.2 Cg_endo -98.99 24.05 20.63 Favored 'Cis proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.903 -1.29 . . . . 10.0 112.188 0.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -67.23 -18.21 65.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 10.0 111.421 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.41 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 15.6 p80 -82.54 4.84 22.89 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.714 HD22 HD21 ' A' ' 144' ' ' LEU . 2.8 mt -77.34 -31.56 54.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.165 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 65.3 mmtt -139.98 -167.25 2.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.233 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.47 159.04 37.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -124.7 139.35 53.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.691 0.281 . . . . 10.0 110.911 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -93.68 135.69 34.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.602 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 pp -122.87 152.73 40.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.151 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -118.01 114.66 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.217 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.65 HG23 HG12 ' A' ' 67' ' ' ILE . 51.7 mt -96.94 119.89 45.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.909 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -110.17 109.24 19.66 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.724 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -84.31 126.12 70.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.777 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.612 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 43.2 Cg_endo -68.96 147.45 68.05 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.282 1.988 . . . . 10.0 111.101 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.47 -22.08 70.48 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.836 2.357 . . . . 10.0 112.194 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -96.29 15.45 21.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.472 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -56.71 139.82 76.01 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -97.16 24.06 23.29 Favored 'Cis proline' 0 N--CA 1.459 -0.518 0 C-N-CA 124.306 -1.122 . . . . 10.0 113.629 0.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -71.81 -19.3 62.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.31 0.576 . . . . 10.0 109.823 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -119.69 147.38 43.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.14 -0.937 . . . . 10.0 108.986 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.08 135.67 23.4 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.381 2.054 . . . . 10.0 112.864 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.612 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 54.0 Cg_endo -71.99 123.57 9.39 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.541 2.16 . . . . 10.0 110.891 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 75.9 mtm -81.3 117.5 21.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.036 0.446 . . . . 10.0 111.193 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.65 HG12 HG23 ' A' ' 54' ' ' ILE . 56.2 mt -116.63 126.15 73.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.6 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 10.4 ptmm? -135.98 161.64 35.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -88.41 141.1 28.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.774 0.321 . . . . 10.0 110.412 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.48 -23.21 17.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.453 0.644 . . . . 10.0 109.61 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.74 152.16 22.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.895 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.679 ' HB3' ' HE2' ' A' ' 142' ' ' PHE . 40.9 mttt -78.48 118.04 20.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 10.0 111.568 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.472 HG23 HG11 ' A' ' 78' ' ' VAL . 5.1 tt -123.39 121.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.588 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.44 84.56 3.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.119 0.485 . . . . 10.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.48 ' HB3' HG23 ' A' ' 78' ' ' VAL . 42.0 t60 -128.94 137.58 31.31 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.552 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 26.0 Cg_endo -61.6 -7.04 8.15 Favored 'Trans proline' 0 N--CA 1.478 0.58 0 C-N-CA 123.026 2.484 . . . . 10.0 113.835 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -119.84 20.55 12.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.735 0.302 . . . . 10.0 110.709 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 75' ' ' HIS . 54.7 t -132.85 141.12 45.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.58 164.12 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.111 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.407 ' O ' ' HE2' ' A' ' 72' ' ' LYS . 49.8 mm-40 -55.92 -35.58 66.76 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.953 0.723 . . . . 10.0 112.953 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.42 -3.79 58.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.15 13.73 44.67 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.795 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -78.65 146.07 34.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.807 0.303 . . . . 10.0 110.366 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.49 173.48 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.965 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.646 ' HB2' HD11 ' A' ' 120' ' ' LEU . 2.3 m -133.6 113.22 12.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.02 -0.537 . . . . 99.989999999999995 109.83 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.512 ' HB3' HG22 ' A' ' 88' ' ' ILE . 5.8 mp -119.94 115.44 33.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.062 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.88 -20.49 52.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.0 2.467 . . . . 10.0 112.243 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' A' ' 103' ' ' VAL . 19.3 tt -71.59 -30.83 40.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.484 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.5 pt -113.22 14.03 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 10.0 111.005 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.9 p -71.61 144.91 49.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.391 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -22.62 64.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.01 0.433 . . . . 10.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -88.95 4.49 47.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.807 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -165.8 47.21 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.521 0.563 . . . . 10.0 112.521 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -100.4 132.29 45.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.867 0.365 . . . . 10.0 111.086 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -123.4 123.24 26.55 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.51 -18.38 59.43 Favored 'Trans proline' 0 N--CA 1.474 0.375 0 C-N-CA 123.22 2.614 . . . . 10.0 113.032 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 -16.98 59.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.002 0.43 . . . . 10.0 111.617 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.42 135.52 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.755 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 23.4 mtpp -89.57 153.64 20.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.3 m -58.37 -29.64 66.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.598 ' HB3' HD21 ' A' ' 13' ' ' LEU . 3.7 p -62.3 -35.88 80.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.782 0.325 . . . . 10.0 111.122 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -70.21 -35.51 73.93 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.092 0.473 . . . . 10.0 110.185 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.596 ' HA ' HD13 ' A' ' 88' ' ' ILE . 48.3 t -64.9 -46.09 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.56 179.009 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.406 HD13 HD22 ' A' ' 21' ' ' LEU . 80.8 mt -64.58 -33.22 75.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.197 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 109' ' ' VAL . 41.5 tt0 -65.09 -49.08 71.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.524 178.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.31 84.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.236 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 111' ' ' VAL . 64.5 tp -61.11 -48.91 79.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.766 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -58.59 -40.61 83.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.67 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 105' ' ' GLU . 98.4 t -64.03 -44.4 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.431 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.29 -29.66 69.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.93 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 107' ' ' LEU . 77.6 t -74.08 -49.97 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.852 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -73.13 -33.76 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.928 0.394 . . . . 10.0 111.459 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 114' ' ' PRO . 23.3 mmm180 -115.16 93.24 34.6 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 113' ' ' ARG . 36.0 Cg_endo -64.02 144.02 86.47 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.808 2.338 . . . . 10.0 112.999 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.493 ' ND2' ' HB2' ' A' ' 118' ' ' GLU . 35.0 t30 -107.32 105.25 15.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.115 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.9 pt -86.61 -10.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.0 mtp-105 -74.39 -40.62 61.94 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.493 ' HB2' ' ND2' ' A' ' 115' ' ' ASN . 16.9 mp0 -131.51 74.14 78.73 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 178.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -92.86 159.31 2.75 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.699 2.266 . . . . 10.0 112.435 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.1 mp -91.98 -28.78 17.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 179.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.57 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 16.6 mtp180 -123.85 103.82 8.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.7 tpt -64.25 -31.92 73.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.697 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.57 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 24.4 p-10 -63.01 -48.71 77.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.166 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.468 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.9 mp -72.78 -35.06 67.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.149 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.42 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.616 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.47 -42.26 99.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.423 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.409 HD11 HD23 ' A' ' 134' ' ' LEU . 34.9 tp -56.81 -47.67 79.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.323 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.432 HD13 ' CD2' ' A' ' 135' ' ' PHE . 58.4 tp -67.24 -28.54 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.716 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.9 m -83.02 -32.35 26.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.154 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -80.99 -44.69 17.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -148.39 96.95 3.84 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.699 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.426 ' HA ' HD12 ' A' ' 128' ' ' LEU . 48.8 Cg_exo -57.6 -37.71 96.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.964 2.443 . . . . 10.0 111.971 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -67.6 -41.01 84.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.368 . . . . 10.0 111.068 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.409 HD23 HD11 ' A' ' 127' ' ' LEU . 13.6 tp -62.61 -43.59 98.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 10.0 110.223 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.552 ' CZ ' ' HD3' ' A' ' 76' ' ' PRO . 87.7 t80 -67.98 -39.02 83.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.513 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -60.47 -37.82 82.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.58 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -64.48 -48.19 76.13 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.033 0.444 . . . . 10.0 109.861 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -60.43 -42.98 97.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.252 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.5 90.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.295 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.46 -52.27 65.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.649 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -57.53 -44.62 85.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.761 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.679 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -64.02 -48.37 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.597 -179.475 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.9 m -65.45 -40.1 92.83 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.714 HD21 HD22 ' A' ' 47' ' ' LEU . 29.9 mt -73.74 -13.09 60.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.056 0.761 . . . . 10.0 113.056 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -113.42 -42.45 3.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.063 0.764 . . . . 10.0 113.063 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -101.74 -0.26 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -93.9 155.73 22.12 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.396 -0.907 . . . . 10.0 112.78 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.564 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 38.7 t -82.48 145.25 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 11.3 t0 -56.42 142.18 39.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 10.0 111.61 -178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 11.4 tpt180 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.448 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -96.74 124.86 40.85 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.816 0.341 . . . . 10.0 111.636 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 pt -111.17 167.19 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' B' ' 66' ' ' THR . 68.8 m-85 -121.9 114.95 21.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.773 0.32 . . . . 10.0 111.082 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.565 ' HB ' HG13 ' B' ' 13' ' ' ILE . 22.0 t -100.21 114.37 38.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -105.35 132.16 51.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.973 0.416 . . . . 10.0 110.835 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.4 p -97.33 169.98 9.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.435 HD11 HG13 ' B' ' 70' ' ' VAL . 29.9 mt -71.36 -6.94 43.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.501 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.25 0.79 54.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.175 0.512 . . . . 10.0 110.903 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.76 -14.87 61.93 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.734 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -70.84 126.54 29.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.77 0.319 . . . . 10.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -114.71 130.13 56.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.086 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.565 HG13 ' HB ' ' B' ' 5' ' ' VAL . 18.9 pt -118.16 137.98 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 10.0 111.529 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.45 140.7 29.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.715 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 tp -143.48 126.69 16.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.828 0.346 . . . . 10.0 111.262 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -92.51 113.33 25.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.068 0.461 . . . . 10.0 110.34 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.71 177.19 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.537 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 25.0 mm-40 -131.1 157.91 76.71 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.878 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 78.5 Cg_exo -52.66 -32.98 57.16 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.957 2.438 . . . . 10.0 113.014 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.23 0.05 12.98 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -86.93 141.18 28.91 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.552 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.8 OUTLIER -88.7 150.5 22.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.531 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.8 mm -54.68 -38.03 41.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.69 0.281 . . . . 10.0 111.106 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 26.0 tt0 -59.81 -45.95 90.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.544 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 55.5 t30 -65.87 -35.78 81.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.378 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.83 -44.46 99.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.191 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.22 -41.45 88.66 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.827 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.02 83.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.297 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 80.6 mttt -68.44 -34.32 75.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.762 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.86 -43.04 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.854 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -63.34 -27.66 69.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.122 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.52 -46.44 72.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.861 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -86.83 -41.2 14.23 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -86.63 -67.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.875 0.369 . . . . 10.0 110.686 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.86 -14.98 5.18 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.364 -0.922 . . . . 10.0 112.946 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.3 mt -64.09 120.7 66.49 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.407 0.146 . . . . 10.0 110.992 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.4 Cg_exo -60.76 148.85 90.57 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.112 2.541 . . . . 10.0 112.193 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 36.0 Cg_exo -58.71 -27.95 84.97 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.117 2.545 . . . . 10.0 112.651 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.88 -21.62 63.31 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.516 0.674 . . . . 10.0 110.612 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.775 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 33.6 mt-30 -107.17 10.02 30.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.33 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -101.82 99.71 9.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.976 0.417 . . . . 10.0 112.119 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.693 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 55.2 ttt180 -104.97 91.25 3.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.467 ' HB3' HD12 ' B' ' 50' ' ' LEU . 44.8 mt -80.89 123.76 28.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.703 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 25.0 mm -116.02 128.17 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.956 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.867 ' HB3' HD21 ' B' ' 50' ' ' LEU . 93.4 t80 -144.91 135.88 24.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.229 -0.442 . . . . 10.0 109.991 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.45 26.83 16.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.038 0.446 . . . . 10.0 111.829 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.29 8.31 87.71 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.861 -0.685 . . . . 10.0 113.391 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.461 ' HE2' ' HD1' ' B' ' 59' ' ' TYR . 15.9 pttm -133.24 164.35 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.265 0.532 . . . . 10.0 111.674 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -83.73 150.27 25.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.867 HD21 ' HB3' ' B' ' 45' ' ' PHE . 35.4 mt -97.64 112.81 24.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.578 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.739 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 30.1 tt0 -71.75 135.88 46.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.806 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.557 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 13.0 m-20 -59.48 -24.44 63.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.739 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -86.42 -6.13 81.34 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.854 -0.689 . . . . 10.0 113.047 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.58 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 2.6 mmp_? -93.97 160.39 14.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.342 . . . . 10.0 110.442 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 80.6 p -103.3 176.81 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 178.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.878 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 46.7 mt -68.55 -26.43 65.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.217 0.532 . . . . 10.0 110.004 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -27.61 61.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.715 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.84 -31.13 71.36 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.339 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.461 ' HD1' ' HE2' ' B' ' 48' ' ' LYS . 98.4 m-85 -107.23 9.24 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.038 -0.528 . . . . 10.0 112.071 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 54.1 t30 56.05 50.76 13.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.215 0.531 . . . . 10.0 111.385 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.5 mt -88.46 123.46 40.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.528 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -100.5 -179.08 3.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.537 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -72.19 150.25 43.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.78 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 67.71 12.07 8.67 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -77.54 133.17 38.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.752 0.311 . . . . 10.0 110.487 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 8.6 m -89.74 130.08 36.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.1 mt -108.83 144.16 37.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -97.27 115.84 28.38 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.372 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 tp -100.7 105.31 16.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.164 0.506 . . . . 10.0 111.25 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.693 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 41.7 t -89.53 127.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.648 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 70.5 mt -76.9 113.65 14.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.735 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.775 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 5.3 ttp180 . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 10.0 111.203 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.631 0.253 . . . . 10.0 111.269 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.409 ' O ' HG23 ' A' ' 7' ' ' VAL . 1.1 m -58.99 -32.88 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.241 0.46 . . . . 10.0 112.241 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 55.4 ttm -56.8 -43.61 81.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.262 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -69.57 -36.33 76.18 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.57 -45.59 93.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.521 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 3' ' ' SER . 53.6 t -62.45 -40.22 87.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.922 0.391 . . . . 10.0 110.212 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -66.55 -45.37 79.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.542 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.04 -38.0 89.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.212 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.23 -49.42 77.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.108 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -60.51 -41.69 94.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.905 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -60.24 -50.66 72.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.3 mt -74.03 -22.77 59.43 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -79.79 -41.54 26.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.945 0.402 . . . . 10.0 111.104 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -76.48 -30.48 57.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.403 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -130.51 75.95 78.24 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.745 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -91.58 147.95 3.41 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.3 2.667 . . . . 10.0 113.114 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.578 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 56.5 Cg_endo -73.2 151.52 49.26 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.546 2.164 . . . . 10.0 110.9 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 31.4 Cg_exo -61.47 -21.06 70.92 Favored 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 123.075 2.516 . . . . 10.0 113.243 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -95.11 8.93 41.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.578 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 17.8 tp -141.24 122.63 14.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.93 0.395 . . . . 10.0 111.004 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -135.7 169.24 17.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.611 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 64.56 21.05 12.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.309 -0.405 . . . . 10.0 112.086 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 tp -65.94 107.79 1.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.123 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.91 165.04 29.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.054 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -174.43 4.3 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.149 -0.315 . . . . 10.0 110.149 179.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.508 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 27.8 t70 -84.14 162.74 20.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.96 -31.42 72.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.162 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -135.46 16.26 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.796 0.295 . . . . 10.0 111.796 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 7.7 t-20 -144.83 139.61 27.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.097 0.475 . . . . 10.0 111.537 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.58 -17.08 6.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.352 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -89.79 5.93 43.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.126 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.508 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 79.3 t -123.9 115.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.834 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 38.1 m0 -101.08 145.55 28.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.018 0.437 . . . . 10.0 111.141 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -126.95 126.05 42.56 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.661 -0.866 . . . . 10.0 108.661 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.41 160.45 41.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.88 0.371 . . . . 10.0 111.812 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.8 mt -107.14 120.11 41.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.599 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -90.88 134.1 34.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.758 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.94 92.18 29.5 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.343 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.57 152.2 82.49 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.521 2.148 . . . . 10.0 111.824 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -98.93 -35.16 10.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.062 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 6.0 tp-100 -65.81 125.61 90.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.31 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 23.4 Cg_exo -67.43 150.18 80.6 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.729 2.286 . . . . 10.0 110.608 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -92.85 16.04 44.62 Favored 'Cis proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.678 -1.384 . . . . 10.0 112.22 0.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -65.18 -21.47 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.178 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -73.0 -4.84 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -80.57 -27.23 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.633 0.254 . . . . 10.0 111.198 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.685 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 43.0 mmtt -136.89 -168.5 2.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.144 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.94 161.58 31.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.94 136.67 49.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.627 -0.261 . . . . 10.0 110.82 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -91.01 132.61 35.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.835 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -118.84 151.36 38.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.296 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.46 114.46 22.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.894 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.834 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 54.7 mt -95.81 117.35 39.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.9 111.3 23.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.233 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.467 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 86.0 m-85 -89.52 129.1 48.35 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.269 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.542 ' HG2' ' HB3' ' A' ' 63' ' ' LYS . 3.0 Cg_exo -78.17 151.35 26.74 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.831 2.354 . . . . 10.0 110.912 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.89 -18.77 62.92 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.664 2.243 . . . . 10.0 112.794 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.45 16.65 8.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.784 0.326 . . . . 10.0 111.484 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.582 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 15.8 t80 -61.91 142.27 95.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.582 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 66.1 Cg_endo -96.16 21.67 28.42 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 124.263 -1.14 . . . . 10.0 113.16 0.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -75.65 -19.48 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.448 0.642 . . . . 10.0 109.791 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.542 ' HB3' ' HG2' ' A' ' 57' ' ' PRO . 4.7 mmtm -113.86 136.31 22.09 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.277 -0.874 . . . . 10.0 109.34 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 57.0 Cg_endo -71.85 136.17 27.12 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.86 2.374 . . . . 10.0 112.865 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 48.0 Cg_endo -70.33 128.05 14.98 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.692 2.261 . . . . 10.0 111.411 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.7 mtm -84.81 109.3 17.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.78 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.676 HG12 HG23 ' A' ' 54' ' ' ILE . 50.6 mt -107.13 123.61 62.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.115 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 5.7 ptmm? -132.85 157.73 44.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.11 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -85.11 130.8 34.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.88 -33.72 24.73 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.201 -0.454 . . . . 10.0 109.956 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.08 148.49 22.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.43 -0.805 . . . . 10.0 109.961 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 146' ' ' PHE . 36.0 mtpt -72.69 121.68 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 10.0 111.408 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.5 tt -125.72 127.21 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.743 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.511 ' CZ ' HD11 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -82.74 84.35 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.043 0.449 . . . . 10.0 110.52 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' HB3' HG23 ' A' ' 78' ' ' VAL . 40.2 t60 -131.65 132.4 23.37 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 18.1 Cg_endo -58.23 -13.28 15.59 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.108 2.539 . . . . 10.0 114.025 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -105.38 3.93 30.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.368 0.604 . . . . 10.0 110.808 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 84' ' ' ILE . 21.4 t -125.34 144.32 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.164 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -94.55 168.4 10.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.001 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.79 -31.15 70.53 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.402 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 16.9 t-20 -75.18 -29.79 60.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.183 0.516 . . . . 10.0 110.676 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.32 13.17 7.71 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.344 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -86.96 153.87 21.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.84 0.352 . . . . 10.0 110.544 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.53 HG22 HG22 ' A' ' 78' ' ' VAL . 15.8 pt -133.71 -167.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.723 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.559 ' HB2' HD11 ' A' ' 120' ' ' LEU . 4.5 m -140.63 91.41 2.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.074 -0.512 . . . . 99.989999999999995 109.888 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.433 ' CB ' HG12 ' A' ' 89' ' ' ILE . 11.5 mt -103.14 107.93 57.08 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -58.18 -22.95 59.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.632 2.221 . . . . 10.0 111.859 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.502 HG23 HG23 ' A' ' 89' ' ' ILE . 21.3 tt -72.32 -29.62 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.772 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.502 HG23 HG23 ' A' ' 88' ' ' ILE . 47.2 pt -106.97 17.55 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 121.107 0.48 . . . . 10.0 111.263 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.0 p -78.97 144.61 34.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.014 -0.736 . . . . 10.0 109.014 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.87 0.22 6.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.942 0.401 . . . . 10.0 111.734 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -93.48 -32.45 14.18 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.609 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -134.22 33.07 3.37 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.036 0.754 . . . . 10.0 113.036 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -79.84 133.85 36.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.249 0.547 . . . . 10.0 111.279 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 3.3 mppt? -120.33 122.86 28.52 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.759 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 32.0 Cg_exo -60.88 -18.44 56.81 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.953 2.435 . . . . 10.0 112.575 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 2.9 p -82.12 -0.1 43.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.521 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -87.69 130.49 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.828 0.346 . . . . 10.0 110.166 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -93.73 156.14 16.85 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.7 m -57.24 -29.48 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 10.0 111.693 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.54 -40.45 83.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.01 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.6 -35.01 67.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 10.0 110.328 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -65.38 -44.67 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.143 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.54 -36.05 82.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.825 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 109' ' ' VAL . 28.9 tt0 -65.67 -44.94 84.75 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.59 84.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.391 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 111' ' ' VAL . 62.4 tp -62.65 -45.68 91.71 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.517 179.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.45 -38.16 76.95 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.041 0.448 . . . . 10.0 110.181 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 105' ' ' GLU . 99.5 t -62.99 -45.76 98.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.329 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.47 -28.86 68.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.91 0.386 . . . . 10.0 111.613 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 107' ' ' LEU . 74.9 t -72.65 -51.5 27.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.526 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.48 -32.53 68.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.03 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 113' ' ' ARG . 15.0 mmm180 -115.18 92.5 31.84 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.064 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.61 110.36 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.681 2.254 . . . . 10.0 111.918 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -68.45 108.41 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.726 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 pt -88.28 -8.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.495 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -74.36 -55.16 6.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -127.01 79.25 73.22 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.999 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -97.67 171.07 0.73 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.978 2.452 . . . . 10.0 112.041 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.5 mp -92.05 -33.65 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.593 0.711 . . . . 10.0 109.115 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.548 ' HD3' HD22 ' A' ' 124' ' ' LEU . 16.0 mtp180 -112.77 94.91 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.753 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.449 ' HB2' HG21 ' B' ' 9' ' ' THR . 96.0 mtp -62.96 -27.54 69.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.057 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.41 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 20.0 p-10 -67.92 -45.44 74.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.709 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.66 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.7 mp -71.24 -38.31 71.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.784 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.8 86.86 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.364 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 37.5 t70 -67.18 -40.1 86.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.915 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.5 tp -57.03 -45.6 83.01 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 10.0 110.25 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 132' ' ' PRO . 58.2 tp -66.73 -26.08 66.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.788 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.1 m -78.72 -39.52 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.487 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 73.6 mm-40 -75.85 -53.12 8.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.405 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -145.95 101.19 4.21 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.502 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 128' ' ' LEU . 38.5 Cg_exo -62.64 -35.39 70.16 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 123.062 2.508 . . . . 10.0 112.265 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -66.95 -40.92 87.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.961 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.66 -42.2 98.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.198 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.66 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 56.9 t80 -69.52 -38.38 77.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.74 -0.663 . . . . 10.0 110.01 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -58.23 -41.52 84.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.338 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -62.73 -46.14 89.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 10.0 110.906 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -63.34 -47.68 81.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.56 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.37 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.35 -51.4 68.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.461 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.19 -43.65 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.403 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.46 -43.2 97.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.576 HG22 ' HB2' ' A' ' 48' ' ' LYS . 32.2 m -65.87 -43.25 88.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.648 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 29.2 mt -83.21 8.81 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -125.62 -49.8 1.63 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.447 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 94.3 m-85 -97.31 -22.34 16.71 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.314 0.486 . . . . 10.0 112.314 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -77.5 172.16 55.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.96 -0.638 . . . . 10.0 113.062 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.595 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 3.1 t -96.25 158.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.685 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 2.4 t0 -63.11 155.84 26.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.029 0.442 . . . . 10.0 111.758 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 8.0 tpt180 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.361 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.653 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 12.4 ptt? . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -85.22 118.75 24.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.785 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -126.07 168.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -126.71 131.73 51.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 10.0 111.713 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.55 123.29 67.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -107.63 131.86 53.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.894 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.453 HG22 HD23 ' B' ' 69' ' ' LEU . 16.7 p -91.69 173.28 7.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.459 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.6 -18.45 65.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.641 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 122' ' ' MET . 0.2 OUTLIER -89.88 -4.78 57.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.852 0.358 . . . . 10.0 111.258 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.85 -13.92 65.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.821 -0.704 . . . . 10.0 112.423 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -60.85 110.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.24 129.84 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.768 0.318 . . . . 10.0 110.805 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.2 pt -121.54 144.75 29.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.773 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -91.04 142.81 27.37 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -137.02 138.69 40.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.499 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -107.78 98.87 8.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 10.0 109.961 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.653 ' O ' ' HG2' ' B' ' 1' ' ' MET . 4.5 m -139.12 153.6 24.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.421 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 31.1 mm-40 -99.86 159.67 29.31 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.83 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 55.4 Cg_exo -55.26 -26.31 51.31 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.513 2.142 . . . . 10.0 112.245 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -3.17 41.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.84 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.5 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -78.63 130.33 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.301 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.73 150.62 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.167 -0.469 . . . . 10.0 109.928 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 45.2 mm -57.81 -38.75 67.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 10.0 110.655 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.567 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 27.1 tt0 -64.01 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.006 0.431 . . . . 10.0 110.02 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -67.13 -35.49 79.84 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.415 ' O ' HG13 ' B' ' 30' ' ' ILE . 75.0 t -64.56 -48.22 85.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.238 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.26 -44.81 80.08 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.46 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.66 80.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.129 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -74.08 -28.8 61.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.007 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 26' ' ' VAL . 95.4 mt -70.05 -39.39 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -70.11 -21.41 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.064 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.98 -42.01 70.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.599 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.479 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 0.2 OUTLIER -88.55 -52.27 5.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.781 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -82.12 -57.73 3.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.771 0.32 . . . . 10.0 111.386 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.73 -0.02 19.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.516 -0.849 . . . . 10.0 112.723 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -70.13 124.28 90.43 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.547 -0.168 . . . . 10.0 110.547 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.38 132.38 48.39 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.015 2.477 . . . . 10.0 111.896 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.29 -28.69 73.09 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.433 2.755 . . . . 10.0 112.992 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.63 -22.36 64.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.233 0.54 . . . . 10.0 110.716 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -105.13 6.56 33.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.636 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -97.29 107.64 20.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.695 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.626 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 74.7 ttt180 -107.76 96.79 6.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 177.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.687 ' HB3' HD12 ' B' ' 50' ' ' LEU . 35.2 mt -83.27 119.34 24.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.91 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.4 mm -114.77 131.15 67.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.961 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.664 ' HB3' HD21 ' B' ' 50' ' ' LEU . 83.8 t80 -149.88 136.96 19.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.927 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.64 31.27 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.695 0.622 . . . . 10.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.02 8.69 78.94 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.491 -0.777 . . . . 10.0 113.359 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -123.61 170.21 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.882 0.372 . . . . 10.0 111.026 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -98.16 132.44 43.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.082 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.687 HD12 ' HB3' ' B' ' 43' ' ' LEU . 60.2 mt -79.29 109.42 13.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.502 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -74.31 130.38 39.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.567 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 5.3 m-20 -52.19 -33.32 40.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.63 -10.28 85.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 10.0 113.744 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -96.0 165.52 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.987 0.393 . . . . 10.0 111.439 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 10.5 p -108.37 173.75 6.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.042 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.83 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 50.0 mt -64.67 -30.71 71.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 10.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -28.42 68.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.197 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -64.72 -26.71 68.48 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.659 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.04 10.45 24.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.661 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.7 t30 60.12 37.57 20.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.183 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.589 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 61.2 mt -79.15 127.45 39.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.519 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -118.18 -169.99 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.468 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 9.3 pttp -74.42 157.12 36.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.289 -0.264 . . . . 10.0 110.289 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 68.82 11.87 8.47 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.856 0.687 . . . . 10.0 112.856 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.5 m -81.07 146.68 30.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.652 0.263 . . . . 10.0 110.657 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.41 116.85 32.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.156 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.5 mt -94.64 146.53 24.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.359 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -100.9 117.17 34.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.453 HD23 HG22 ' B' ' 7' ' ' THR . 40.6 tp -101.49 101.27 11.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.08 0.466 . . . . 10.0 111.408 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.626 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 43.1 t -91.93 122.26 43.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.492 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.36 113.61 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.969 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.299 179.718 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 6' ' ' VAL . . . . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.555 0.217 . . . . 10.0 111.408 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -58.34 -31.77 67.9 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.999 -179.239 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.8 ttm -55.87 -44.67 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.365 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -74.73 -37.13 62.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.246 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 2' ' ' ALA . 76.2 t -58.09 -47.14 87.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.777 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 3' ' ' SER . 48.1 t -62.79 -37.78 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.115 0.483 . . . . 10.0 110.107 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -64.65 -49.34 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.241 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.498 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.5 mt-10 -60.08 -35.53 75.39 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.052 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.3 tp -63.02 -50.1 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.395 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.43 -43.14 99.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.817 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -57.09 -46.58 82.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.355 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.9 mt -84.33 -16.78 41.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -39.68 23.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.893 0.378 . . . . 10.0 110.875 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -80.57 -27.95 37.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.689 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -134.67 77.66 57.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.842 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -87.9 148.54 7.02 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.928 2.419 . . . . 10.0 113.105 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.11 158.45 30.33 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.559 2.173 . . . . 10.0 110.468 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.72 -29.43 59.78 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.727 2.284 . . . . 10.0 112.893 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -82.6 1.34 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.525 HD22 HD13 ' A' ' 104' ' ' LEU . 12.2 tp -134.56 122.96 23.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.651 0.262 . . . . 10.0 110.699 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -131.26 154.08 48.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.894 0.378 . . . . 10.0 111.888 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.7 t30 59.72 38.71 21.61 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.341 -0.845 . . . . 10.0 112.629 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.5 tp -72.11 106.72 4.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.721 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -136.17 154.36 50.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 m -78.56 174.51 11.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.708 0.29 . . . . 10.0 110.408 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.565 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 21.4 t70 -71.57 158.18 36.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.3 -39.51 83.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.976 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.9 -6.54 9.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.538 0.94 . . . . 10.0 113.538 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.536 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 49.3 t30 -132.54 120.39 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.04 0.448 . . . . 10.0 111.978 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -75.55 -14.27 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.659 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.5 mt -83.04 5.28 22.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.217 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 93.0 t -125.98 125.64 68.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.558 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 45.6 m0 -111.67 145.83 38.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.995 0.426 . . . . 10.0 111.659 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -127.32 124.86 39.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.66 161.71 42.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.965 0.412 . . . . 10.0 111.66 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.96 120.98 43.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.978 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.2 tp -92.25 133.18 36.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.39 93.25 48.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.325 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.04 170.2 20.19 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.717 2.278 . . . . 10.0 110.446 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.67 ' HA ' ' HB3' ' A' ' 46' ' ' HIS . 35.8 t0 -122.11 -0.43 9.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.185 0.517 . . . . 10.0 111.687 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.51 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 4.9 tp-100 -81.32 120.32 78.03 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.51 ' HD2' ' OE1' ' A' ' 42' ' ' GLN . 35.7 Cg_exo -60.2 138.77 83.54 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.439 2.093 . . . . 10.0 111.163 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 94.2 Cg_endo -100.17 18.19 22.91 Favored 'Cis proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.949 -1.271 . . . . 10.0 112.4 -0.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -62.8 -22.38 66.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.667 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.67 ' HB3' ' HA ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -81.02 4.39 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 -179.581 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.1 mt -81.25 -29.57 34.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.811 0.339 . . . . 10.0 110.446 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.618 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 59.6 mmtt -135.27 -164.14 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.264 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.02 158.91 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.628 0.252 . . . . 10.0 110.485 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -125.91 126.18 43.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.072 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -84.1 135.17 34.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.115 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 pp -120.11 152.07 38.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.352 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.4 ttt-85 -122.35 112.9 18.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.972 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.658 HG23 HG12 ' A' ' 67' ' ' ILE . 37.8 mt -97.4 124.47 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.015 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 m -114.65 115.66 27.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.783 0.325 . . . . 10.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -92.9 130.91 34.81 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.07 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 90.6 Cg_endo -81.47 160.42 19.66 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.681 2.254 . . . . 10.0 111.738 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 -3.99 14.26 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.578 2.185 . . . . 10.0 111.145 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -101.66 14.29 32.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.801 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.523 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 17.1 t80 -69.65 143.84 93.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.859 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 91.5 Cg_endo -96.94 21.13 28.16 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.976 -1.26 . . . . 10.0 112.415 -0.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -70.88 -29.66 65.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.076 0.465 . . . . 10.0 109.914 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 5.0 mmmm -111.54 142.79 27.23 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.854 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.5 139.95 38.79 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.779 2.319 . . . . 10.0 112.895 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 66.3 Cg_endo -76.62 143.25 23.94 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.559 2.173 . . . . 10.0 110.972 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.8 mtm -96.31 122.27 39.0 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.98 0.419 . . . . 10.0 111.204 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.658 HG12 HG23 ' A' ' 54' ' ' ILE . 46.2 mt -112.45 131.14 64.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.876 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -130.7 156.82 44.29 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -92.27 127.14 37.64 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -23.7 31.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.0 m -98.38 143.66 28.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.069 -0.969 . . . . 10.0 109.943 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 142' ' ' PHE . 22.9 mmtt -78.26 115.84 18.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.976 0.417 . . . . 10.0 110.856 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.553 HG12 ' HB2' ' A' ' 75' ' ' HIS . 7.1 tt -119.03 127.8 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.517 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -79.6 69.28 5.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.467 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.553 ' HB2' HG12 ' A' ' 73' ' ' ILE . 7.0 t-80 -116.45 131.18 23.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.789 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.561 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 34.0 Cg_endo -64.84 -4.38 8.59 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.113 2.542 . . . . 10.0 113.789 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -118.07 14.67 14.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.501 0.667 . . . . 10.0 110.364 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 84' ' ' ILE . 88.2 t -130.73 138.22 54.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.588 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.89 157.41 26.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.525 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 3.4 pt-20 -58.8 -29.89 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.118 0.784 . . . . 10.0 113.118 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -78.47 -27.57 46.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.302 0.573 . . . . 10.0 110.2 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.4 13.11 6.45 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.719 -0.753 . . . . 10.0 112.619 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -84.58 142.98 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 10.0 110.376 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.527 HD12 HD13 ' A' ' 86' ' ' LEU . 14.7 pt -128.71 164.7 30.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.406 ' HB2' HD11 ' A' ' 120' ' ' LEU . 1.2 m -130.5 88.2 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.44 0.638 . . . . 99.989999999999995 111.088 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 110' ' ' LEU . 8.4 mp -95.29 124.52 53.32 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.379 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 40.1 Cg_exo -59.07 -28.64 88.39 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.973 2.449 . . . . 10.0 112.18 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.5 tt -67.03 -30.31 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 116.149 -0.478 . . . . 10.0 112.208 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.2 pt -117.64 27.23 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.129 0.49 . . . . 10.0 110.512 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 92' ' ' GLU . 80.9 p -74.94 157.46 34.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.791 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -80.08 32.79 0.27 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.28 0.562 . . . . 10.0 110.311 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 90' ' ' SER . 9.8 tm-20 -140.64 -56.73 0.52 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.611 -179.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.73 35.95 2.19 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -75.86 134.35 40.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 10.0 110.7 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.502 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 17.6 mtpp -121.25 110.25 34.5 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.367 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.15 -11.82 29.48 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.088 2.525 . . . . 10.0 112.413 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -80.89 -14.18 58.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.244 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -88.45 151.85 22.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.481 -179.823 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.498 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 60.8 mtpt -111.36 170.67 7.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 10.0 109.987 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.0 m -60.13 -27.84 67.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.215 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -49.06 75.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.798 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.434 ' HB2' HG22 ' A' ' 98' ' ' THR . 7.3 mp0 -70.7 -30.62 67.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.027 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.99 -47.79 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.854 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.525 HD13 HD22 ' A' ' 21' ' ' LEU . 73.8 mt -63.73 -33.64 76.09 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.178 0.513 . . . . 10.0 109.974 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 109' ' ' VAL . 19.1 tt0 -63.82 -49.24 73.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.47 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.77 97.41 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.37 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 tp -58.7 -47.41 84.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.983 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -58.81 -41.92 87.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.833 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 105' ' ' GLU . 95.0 t -63.44 -48.2 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.697 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 86' ' ' LEU . 62.1 mt -64.45 -29.15 70.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.734 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.444 ' HA ' ' CE1' ' A' ' 75' ' ' HIS . 54.9 t -75.14 -43.94 43.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 110.243 -0.28 . . . . 10.0 110.243 178.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.452 ' O ' ' HD3' ' A' ' 114' ' ' PRO . 37.7 m-80 -72.08 -37.78 69.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.099 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -108.57 96.75 20.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 112' ' ' ASN . 20.1 Cg_exo -66.32 108.93 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.873 2.382 . . . . 10.0 112.753 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -73.41 109.71 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.411 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 24.3 pt -89.18 -6.95 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.465 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 117' ' ' ARG . 43.9 mtp180 -75.81 -57.03 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -120.52 78.63 28.74 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.431 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -97.46 169.14 0.82 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.851 2.367 . . . . 10.0 112.702 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.2 mp -100.11 -14.11 18.71 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.558 ' HD3' HD22 ' A' ' 124' ' ' LEU . 7.1 mtp85 -129.29 95.19 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.283 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -61.33 -32.89 72.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -66.17 -48.3 71.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.507 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.558 HD22 ' HD3' ' A' ' 121' ' ' ARG . 8.1 mp -68.52 -37.53 80.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.189 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.96 79.83 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.281 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -65.79 -38.08 88.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.375 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.596 HD11 HD23 ' A' ' 134' ' ' LEU . 46.7 tp -59.91 -47.47 85.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.23 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 132' ' ' PRO . 58.4 tp -62.15 -38.14 87.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.009 0.433 . . . . 10.0 111.039 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.7 m -72.07 -19.08 61.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.444 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -94.9 -50.53 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.693 0.282 . . . . 10.0 111.165 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -144.83 102.79 4.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.125 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.468 ' HA ' HD12 ' A' ' 128' ' ' LEU . 26.9 Cg_exo -63.18 -36.65 56.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.977 2.451 . . . . 10.0 112.403 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.644 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 31.9 tp10 -68.87 -43.82 74.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.046 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.596 HD23 HD11 ' A' ' 127' ' ' LEU . 33.0 tp -60.02 -43.82 95.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.993 0.425 . . . . 10.0 110.32 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.561 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 87.0 t80 -66.06 -41.66 90.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.812 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -60.18 -40.7 90.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.525 -0.762 . . . . 10.0 110.958 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.644 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 66.3 mttm -60.84 -47.52 85.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.129 0.49 . . . . 10.0 110.402 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -62.59 -45.64 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.796 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.326 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.57 -48.76 80.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.069 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -60.18 -44.13 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.706 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.439 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 4.3 t80 -65.52 -45.05 85.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.27 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.412 HG22 ' HB2' ' A' ' 48' ' ' LYS . 26.2 m -64.04 -38.16 90.05 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.8 -5.32 57.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -114.64 -42.9 3.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.427 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 96.6 m-85 -107.71 6.35 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -100.59 151.89 19.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 10.0 112.776 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 20.1 t -76.52 152.39 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.618 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 28.3 t0 -56.83 156.03 7.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.35 . . . . 10.0 111.849 -179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.457 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 13.3 tpt180 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.912 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 24.0 ptt? . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 121.116 0.484 . . . . 10.0 110.734 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -85.79 129.04 34.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.551 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -125.51 169.48 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.37 123.05 42.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.883 0.373 . . . . 10.0 110.976 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.77 107.97 24.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -101.64 129.15 47.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.08 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -97.92 170.1 9.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.348 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.777 HD11 HG13 ' B' ' 70' ' ' VAL . 90.9 mt -66.62 -17.31 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.531 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.78 4.08 50.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.14 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.53 11.31 85.42 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.915 -0.66 . . . . 10.0 112.556 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -86.04 82.9 7.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 10.0 110.05 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -79.24 113.96 17.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.159 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 pt -111.33 151.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.977 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.5 142.76 27.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.189 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 tp -138.54 140.32 39.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.781 0.324 . . . . 10.0 110.641 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.1 105.82 16.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.692 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.3 m -131.49 167.85 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.743 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 57.5 mm-40 -112.85 158.61 37.2 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -58.8 -23.31 66.26 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.196 1.931 . . . . 10.0 111.718 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.22 8.7 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.348 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.607 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -80.61 131.58 35.52 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.738 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.51 149.68 25.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -55.66 -40.91 62.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.678 0.275 . . . . 10.0 111.336 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -61.1 -36.03 78.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.1 0.476 . . . . 10.0 110.626 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.7 -39.31 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.68 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.45 -40.39 86.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.683 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -59.42 -42.13 91.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.818 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.91 85.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.285 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -66.4 -38.1 86.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.688 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.15 -37.65 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.265 -0.642 . . . . 10.0 109.265 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -66.79 -37.15 84.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.756 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.67 -35.95 81.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.305 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.42 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 31.9 mtpt -86.54 -63.6 1.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.742 0.645 . . . . 10.0 112.742 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.33 -47.32 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.815 0.672 . . . . 10.0 112.815 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.15 13.32 19.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.548 -0.834 . . . . 10.0 112.421 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -77.32 125.47 86.33 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 66.4 Cg_exo -53.27 134.32 56.32 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.92 2.414 . . . . 10.0 111.668 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.9 Cg_exo -55.71 -30.42 75.61 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.434 2.756 . . . . 10.0 113.613 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.39 -25.71 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -93.11 4.05 54.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.317 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -91.05 104.06 16.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.14 0.495 . . . . 10.0 111.648 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.485 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 47.1 ttt180 -105.48 90.32 3.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.419 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.57 ' HB3' HD12 ' B' ' 50' ' ' LEU . 36.8 mt -84.73 120.54 26.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.09 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -119.31 130.47 73.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.208 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.488 ' HB3' HD21 ' B' ' 50' ' ' LEU . 84.2 t80 -139.8 127.05 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.47 33.64 23.55 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.63 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.2 7.4 84.63 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.818 -0.628 . . . . 10.0 113.118 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm -118.05 142.56 47.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -85.41 132.78 34.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.051 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' B' ' 43' ' ' LEU . 37.3 mt -80.75 109.71 15.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.431 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.27 135.92 40.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.753 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.08 -44.33 41.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.093 0.775 . . . . 10.0 113.093 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.39 35.73 3.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 10.0 114.064 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.411 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 5.3 mmp_? -129.08 160.81 31.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.827 0.314 . . . . 10.0 110.416 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.45 159.84 15.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.204 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.422 HD12 ' O ' ' B' ' 18' ' ' GLU . 78.6 mt -60.6 -29.53 69.26 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.095 0.474 . . . . 10.0 111.089 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -28.69 69.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.412 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.57 -38.09 89.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.446 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.405 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.9 m-85 -96.89 6.78 48.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.249 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.2 t30 60.37 35.63 20.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.245 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 73.1 mt -75.24 116.58 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.262 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -105.4 -165.6 1.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.353 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.426 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 0.0 OUTLIER -76.56 153.78 35.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.728 0.299 . . . . 10.0 110.917 179.294 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.16 16.3 10.39 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.802 0.667 . . . . 10.0 112.802 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.6 m -76.53 142.2 40.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.375 -0.231 . . . . 10.0 110.375 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.23 104.62 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.188 0.518 . . . . 10.0 111.252 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 78.4 mt -87.27 139.81 30.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.905 -0.588 . . . . 10.0 109.643 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -100.76 108.54 20.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 44.4 tp -93.57 100.85 13.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.392 0.615 . . . . 10.0 111.264 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.777 HG13 HD11 ' B' ' 8' ' ' LEU . 41.5 t -91.58 134.38 30.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.54 -0.911 . . . . 10.0 108.54 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.6 mp -99.64 132.74 44.78 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 121.003 -0.279 . . . . 10.0 110.66 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.002 179.045 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.667 0.27 . . . . 10.0 111.224 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.95 -23.45 65.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.234 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.8 mmm -53.19 -48.6 67.92 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.485 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 5.6 ttp180 -66.05 -40.16 90.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.32 . . . . 10.0 110.254 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.24 -43.86 86.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.017 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.5 t -63.79 -41.09 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.969 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -64.3 -48.52 75.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.757 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.656 ' HG2' ' HE2' ' A' ' 99' ' ' LYS . 47.4 mt-10 -58.21 -41.95 85.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.636 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.4 tp -67.09 -46.27 74.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.237 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.79 -37.39 76.22 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.412 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -72.67 -46.27 54.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.059 0.457 . . . . 10.0 110.817 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' A' ' 101' ' ' CYS . 39.5 mt -67.84 -28.86 67.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 25' ' ' SER . 81.0 mt-30 -77.58 -6.16 52.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -102.35 -34.59 9.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 10.0 110.74 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 65.7 mmtt -135.62 71.18 65.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.217 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 96.9 Cg_endo -79.23 141.06 15.96 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.424 2.083 . . . . 10.0 112.401 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 37.8 Cg_exo -62.92 154.33 67.34 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.945 2.43 . . . . 10.0 111.139 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.25 -11.39 25.13 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.838 2.359 . . . . 10.0 113.215 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -108.48 7.96 27.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.77 0.285 . . . . 10.0 111.77 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 tp -135.5 105.5 6.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.904 0.383 . . . . 10.0 110.652 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.67 164.32 20.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.395 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.7 37.79 18.81 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.529 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 48.2 tp -84.86 116.1 23.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.035 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.426 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 41.3 m -153.69 166.38 33.0 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.475 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.41 162.39 25.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.622 0.249 . . . . 10.0 110.399 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.34 149.91 47.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.087 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -55.71 -29.44 59.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.641 0.608 . . . . 10.0 112.641 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.0 30.34 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.93 0.344 . . . . 10.0 111.93 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -162.04 120.68 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.053 0.454 . . . . 10.0 111.838 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.91 -14.13 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.32 0.581 . . . . 10.0 110.617 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.53 6.75 44.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.966 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.23 118.75 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.101 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.64 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 40.5 m0 -98.75 143.66 28.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.978 0.418 . . . . 10.0 111.392 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.455 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 21.3 m-70 -121.96 125.96 47.52 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.423 -0.955 . . . . 10.0 108.423 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.15 158.93 41.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.911 0.386 . . . . 10.0 111.666 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.5 mt -110.63 117.81 34.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.509 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 25.5 tp -86.31 132.0 34.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.016 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.6 88.08 12.96 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 14.7 Cg_exo -70.26 145.95 55.73 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.282 1.988 . . . . 10.0 110.456 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -96.41 -25.39 15.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.108 0.48 . . . . 10.0 110.549 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.502 ' HG3' ' HD2' ' A' ' 43' ' ' PRO . 13.0 tp60 -61.89 138.22 95.52 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.441 -0.799 . . . . 10.0 111.274 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HD2' ' HG3' ' A' ' 42' ' ' GLN . 70.0 Cg_endo -76.67 142.29 22.83 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.621 2.214 . . . . 10.0 111.378 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 91.2 Cg_endo -100.07 20.92 21.54 Favored 'Cis proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.951 -1.27 . . . . 10.0 111.758 -0.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -66.13 -13.6 60.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.969 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.445 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 25.4 p80 -78.16 -3.72 43.93 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.23 -25.08 34.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.903 0.382 . . . . 10.0 111.426 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HB2' HG22 ' A' ' 143' ' ' THR . 71.9 mmtt -136.38 -170.66 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.677 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.98 156.55 43.61 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -123.88 126.49 46.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.774 0.321 . . . . 10.0 110.66 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -83.66 134.48 34.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.501 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.01 146.59 47.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.683 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 53' ' ' ARG . 22.7 ttt-85 -116.77 114.8 24.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.645 HG23 HG12 ' A' ' 67' ' ' ILE . 38.3 mt -96.36 118.4 42.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.37 112.22 25.18 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.037 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.45 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 65.5 m-85 -87.64 128.47 54.45 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.655 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 6.5 Cg_exo -75.37 152.36 39.0 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.69 2.26 . . . . 10.0 110.851 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.23 -15.33 48.92 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.507 2.138 . . . . 10.0 112.561 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -99.95 24.12 8.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.628 -0.26 . . . . 10.0 111.574 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.44 ' HE1' ' HD3' ' A' ' 65' ' ' PRO . 10.7 t80 -63.49 142.92 97.94 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.404 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . 67.8 Cg_endo -97.34 20.27 28.39 Favored 'Cis proline' 0 N--CA 1.459 -0.534 0 C-N-CA 124.151 -1.187 . . . . 10.0 112.808 0.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -70.27 -29.27 65.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.291 0.567 . . . . 10.0 109.573 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -107.13 133.46 20.3 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.641 178.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 41.0 Cg_endo -67.93 139.85 48.55 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.825 2.35 . . . . 10.0 113.113 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.494 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 55.0 Cg_endo -71.7 124.82 10.55 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.756 2.304 . . . . 10.0 111.422 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 36.0 mtm -81.77 112.75 19.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.545 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 54' ' ' ILE . 53.8 mt -104.12 131.66 52.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.727 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -135.81 160.85 37.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.27 134.22 34.76 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.711 -0.395 . . . . 10.0 110.672 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -81.26 -39.89 24.59 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.06 -164.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.893 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 146' ' ' PHE . 26.7 mmtm -121.16 118.84 30.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.777 0.322 . . . . 10.0 110.744 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.455 HG12 ' HB2' ' A' ' 75' ' ' HIS . 6.6 tt -116.71 122.33 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.442 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -80.22 74.69 7.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.117 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' HB2' HG12 ' A' ' 73' ' ' ILE . 36.5 t60 -126.08 137.55 30.39 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.063 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 27.6 Cg_endo -62.78 -6.07 8.51 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.01 2.473 . . . . 10.0 113.775 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.623 HD21 ' HB3' ' A' ' 115' ' ' ASN . 18.8 m120 -110.52 10.99 23.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.046 0.451 . . . . 10.0 111.087 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -130.68 145.11 36.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -86.09 172.53 10.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.574 0.226 . . . . 10.0 111.316 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.35 -25.12 67.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.594 0.591 . . . . 10.0 112.594 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.442 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 4.2 m120 -84.49 -48.74 9.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.149 0.5 . . . . 10.0 110.298 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.79 20.55 0.32 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.238 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.74 154.65 20.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.794 0.33 . . . . 10.0 110.519 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 86' ' ' LEU . 13.4 pt -137.37 164.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.766 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 0.5 OUTLIER -124.03 87.42 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.801 -0.636 . . . . 99.989999999999995 110.104 179.026 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.666 HD13 HD12 ' A' ' 84' ' ' ILE . 4.7 mp -104.0 111.11 65.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.558 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.84 -30.93 78.96 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.091 2.527 . . . . 10.0 112.593 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 103' ' ' VAL . 15.8 tt -61.62 -27.67 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 pt -127.94 39.29 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.073 0.463 . . . . 10.0 110.645 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.5 p -102.13 170.67 7.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.559 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -83.76 0.58 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.703 0.764 . . . . 10.0 109.612 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -101.92 -17.68 16.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.038 -0.983 . . . . 10.0 109.525 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -160.83 122.69 3.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.506 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -166.3 140.8 4.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.601 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -129.78 121.4 19.99 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.098 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 31.6 Cg_exo -60.99 -20.19 66.36 Favored 'Trans proline' 0 N--CA 1.475 0.436 0 C-N-CA 122.991 2.461 . . . . 10.0 112.525 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -75.65 -17.28 60.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.165 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.6 m -78.89 133.37 36.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.656 ' HE2' ' HG2' ' A' ' 9' ' ' GLU . 30.7 mtpt -95.85 161.98 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.562 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -60.3 -29.05 68.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.414 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -60.51 -37.22 80.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.943 0.401 . . . . 10.0 110.843 179.365 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -71.08 -37.43 72.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.143 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.494 ' HA ' HD13 ' A' ' 88' ' ' ILE . 29.2 t -65.61 -41.25 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.146 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.578 HD21 HD11 ' A' ' 54' ' ' ILE . 65.5 mt -60.72 -38.12 84.01 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.699 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 109' ' ' VAL . 40.2 tt0 -64.5 -48.84 73.65 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.854 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.54 -42.23 87.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.507 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.25 -49.32 77.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.221 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.99 -41.93 84.08 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.139 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 105' ' ' GLU . 71.9 t -62.73 -44.39 99.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.895 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.2 mt -69.95 -29.22 66.29 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.04 -39.08 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.099 0.476 . . . . 10.0 109.884 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -77.15 -50.19 13.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.546 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -103.14 106.38 50.75 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.459 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.66 147.25 63.09 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.849 2.366 . . . . 10.0 112.383 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.623 ' HB3' HD21 ' A' ' 77' ' ' ASN . 48.8 t30 -105.46 106.34 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.793 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.3 pt -83.23 -2.91 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.761 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.8 mtp-105 -84.75 -54.73 4.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -126.62 81.29 68.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.819 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -96.47 175.75 0.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.954 2.436 . . . . 10.0 112.051 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.5 mp -105.59 -9.67 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.385 0.612 . . . . 10.0 109.469 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.597 ' HD3' HD22 ' A' ' 124' ' ' LEU . 11.6 mtp180 -135.82 96.65 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.335 -0.848 . . . . 10.0 110.227 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -60.87 -32.1 71.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -66.01 -47.24 75.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.298 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.597 HD22 ' HD3' ' A' ' 121' ' ' ARG . 4.8 mp -71.16 -37.73 72.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.077 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.85 90.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.198 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.38 -44.52 96.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.312 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.54 HD11 HD23 ' A' ' 134' ' ' LEU . 57.8 tp -60.99 -44.24 97.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.225 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.72 -36.15 82.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.445 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.4 m -87.29 14.04 8.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.279 0.562 . . . . 10.0 111.492 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -129.1 -49.2 1.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.179 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.42 ' HA ' ' HD2' ' A' ' 132' ' ' PRO . 38.7 t-20 -144.7 95.23 5.36 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.978 0.418 . . . . 10.0 110.431 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 131' ' ' ASN . 25.3 Cg_endo -63.18 -32.11 74.37 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.967 2.445 . . . . 10.0 112.521 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.479 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 21.1 tp10 -67.84 -48.09 67.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.794 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.54 HD23 HD11 ' A' ' 127' ' ' LEU . 29.0 tp -61.92 -41.97 98.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 10.0 110.192 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.472 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 84.0 t80 -63.92 -41.37 97.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.859 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -60.48 -42.89 97.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.831 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.479 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 64.6 mttm -58.36 -51.1 71.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.104 0.478 . . . . 10.0 110.958 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -43.04 99.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.253 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.01 82.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.425 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -61.83 -54.29 44.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.849 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 2.0 tt0 -58.35 -39.85 80.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.559 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -65.94 -43.98 86.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.27 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 48' ' ' LYS . 44.0 m -62.04 -39.71 93.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.044 0.449 . . . . 10.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 35.8 mt -87.2 12.09 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 29.5 ttt180 -120.37 -52.72 2.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.206 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.4 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 96.4 m-85 -115.46 36.63 3.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.327 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -126.09 158.24 20.24 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 22.9 t -81.72 148.32 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -63.45 145.82 54.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.754 0.312 . . . . 10.0 111.252 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.445 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 14.5 tpt180 -67.21 117.38 45.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.935 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 150' ' ' ARG . 25.1 Cg_exo . . . . . 0 C--O 1.248 0.987 0 C-N-CA 123.153 2.569 . . . . 10.0 111.799 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.7 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.964 0.411 . . . . 10.0 110.811 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -89.69 120.38 30.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.471 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -113.38 172.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.2 m-85 -120.56 120.3 35.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.703 0.287 . . . . 10.0 110.883 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.6 t -106.35 110.47 31.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.455 ' HE3' ' HA2' ' B' ' 10' ' ' GLY . 72.9 tttt -105.65 126.27 51.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.002 0.43 . . . . 10.0 111.45 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.412 HG22 HD23 ' B' ' 69' ' ' LEU . 21.2 p -87.2 170.34 11.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.611 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.597 HD11 HG13 ' B' ' 70' ' ' VAL . 38.9 mt -69.18 -9.16 51.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.013 0.435 . . . . 10.0 110.865 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.89 3.18 55.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.678 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.455 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . 88.9 -23.39 17.51 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.348 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -60.27 114.27 2.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.933 0.397 . . . . 10.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -111.41 125.67 54.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.151 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 30.3 pt -114.6 155.77 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.007 0.432 . . . . 10.0 111.269 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.78 131.77 40.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.373 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' B' ' 29' ' ' LYS . 12.5 tp -128.48 133.68 48.54 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.822 -0.351 . . . . 10.0 111.241 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.81 109.92 22.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.501 . . . . 10.0 110.252 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.3 m -137.82 153.6 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.952 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 48.1 mm-40 -99.96 161.92 22.71 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.21 -30.34 70.98 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.144 1.896 . . . . 10.0 112.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.65 5.19 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.569 . . . . 10.0 112.354 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.5 OUTLIER -72.96 129.35 37.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.605 0.24 . . . . 10.0 110.647 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.414 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -79.31 147.88 32.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.054 179.222 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.437 HG12 ' O ' ' B' ' 54' ' ' ARG . 39.6 mm -58.19 -40.37 77.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.544 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -40.79 86.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.382 0.611 . . . . 10.0 109.979 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -34.56 76.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.861 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 22' ' ' THR . 61.6 t -62.66 -42.55 96.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.26 -41.19 88.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.22 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.22 96.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.166 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.516 ' HB3' HD11 ' B' ' 15' ' ' LEU . 92.7 mttt -64.73 -36.01 82.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.782 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.23 -44.58 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.911 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -66.56 -31.17 71.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.016 0.436 . . . . 10.0 110.392 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.53 -37.73 79.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.903 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.443 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 12.5 ptpt -99.87 -42.63 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -85.86 -60.34 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.61 0.243 . . . . 10.0 111.359 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.64 -4.71 11.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.602 -0.809 . . . . 10.0 112.633 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.15 122.46 82.87 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.469 0.176 . . . . 10.0 110.825 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 45.7 Cg_exo -57.8 135.89 71.98 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.119 2.546 . . . . 10.0 112.137 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 52.9 Cg_exo -57.8 -27.61 78.82 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.35 2.7 . . . . 10.0 112.641 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.81 -27.6 68.38 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.13 0.491 . . . . 10.0 110.755 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.409 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 48.8 mt-30 -102.69 7.16 39.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.636 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -95.61 104.07 15.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.049 0.389 . . . . 10.0 112.049 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -109.74 96.28 6.15 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.521 ' HB3' HD12 ' B' ' 50' ' ' LEU . 38.8 mt -82.89 119.02 23.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.809 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.9 mm -110.84 127.76 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.811 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.531 ' HB3' HD21 ' B' ' 50' ' ' LEU . 53.7 t80 -130.36 117.0 19.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.178 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.63 28.35 15.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.962 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.06 -11.0 73.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.831 -0.699 . . . . 10.0 113.259 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -100.09 145.45 27.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.785 0.293 . . . . 10.0 110.256 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -87.98 131.09 34.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' B' ' 45' ' ' PHE . 59.8 mt -77.22 113.44 14.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.247 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.69 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 1.2 tt0 -73.63 135.69 43.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.751 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.06 -40.52 45.44 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.222 0.823 . . . . 10.0 113.222 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.97 5.19 80.53 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.829 -0.7 . . . . 10.0 114.508 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.69 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 3.6 mmp_? -98.04 163.22 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.369 0.584 . . . . 10.0 110.14 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.0 p -114.35 179.96 3.8 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.404 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 46.5 mt -73.4 -18.99 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.928 0.394 . . . . 10.0 110.971 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.6 m -75.45 -29.89 59.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.313 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.429 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 2.4 m-20 -58.43 -54.07 51.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.992 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -87.21 4.83 40.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.986 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 58.88 60.24 2.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.552 0.691 . . . . 10.0 110.281 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 65.8 mt -94.91 121.6 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.452 -0.795 . . . . 10.0 110.46 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -96.07 -174.44 3.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.821 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 17.6 pttp -76.48 155.92 33.44 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.842 -0.343 . . . . 10.0 111.014 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.13 9.05 6.95 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -66.06 129.52 40.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.868 0.366 . . . . 10.0 110.398 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.6 m -94.09 111.79 23.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.86 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 29.6 mt -95.71 149.31 21.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.669 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -104.91 117.2 33.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.412 HD23 HG22 ' B' ' 7' ' ' THR . 55.4 tp -97.64 111.04 23.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.158 0.504 . . . . 10.0 112.02 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.597 HG13 HD11 ' B' ' 8' ' ' LEU . 47.4 t -98.72 129.23 49.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -90.03 127.98 36.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.348 0.594 . . . . 10.0 112.024 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.409 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 10.9 ttp180 -99.57 92.9 5.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.802 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mp -78.43 116.14 18.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.03 0.443 . . . . 10.0 111.11 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -100.4 77.29 1.93 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.088 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.33 35.34 0.55 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.719 -0.753 . . . . 10.0 112.442 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 4.1 m . . . . . 0 C--O 1.253 1.273 0 CA-C-O 117.844 -1.074 . . . . 99.989999999999995 109.805 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.411 0.148 . . . . 10.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 7' ' ' VAL . 1.5 m -66.52 -20.9 66.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.217 0.821 . . . . 10.0 113.217 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -52.15 -55.92 17.87 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.621 0.601 . . . . 10.0 112.621 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -64.02 -35.58 81.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.734 0.302 . . . . 10.0 111.003 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.5 t -59.59 -45.87 93.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.041 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 3' ' ' SER . 57.9 t -64.64 -38.14 81.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.215 0.531 . . . . 10.0 110.107 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 17.1 tptp -69.29 -41.09 77.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.316 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.05 -38.75 82.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.118 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.77 -52.04 66.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.622 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 26.8 tt0 -60.78 -37.47 81.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.482 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -52.08 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.09 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.023 HD21 ' HB3' ' A' ' 101' ' ' CYS . 41.7 mt -72.59 -23.92 61.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.892 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -74.19 -17.59 60.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 10.0 111.234 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 94.1 mttt -92.76 -38.79 11.6 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -122.89 74.98 47.89 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.238 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.57 137.0 7.71 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.793 2.328 . . . . 10.0 111.879 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 33.1 Cg_endo -68.03 145.78 68.68 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.39 2.06 . . . . 10.0 110.586 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.9 Cg_exo -56.34 -21.07 35.04 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 123.028 2.485 . . . . 10.0 114.07 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -97.09 7.19 47.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 14.9 tp -132.48 117.05 17.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.798 0.333 . . . . 10.0 110.792 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.477 ' HG2' HD13 ' A' ' 39' ' ' LEU . 16.2 mmt85 -124.0 166.0 16.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.41 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 58.43 29.8 18.76 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.643 0.608 . . . . 10.0 112.643 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.1 tp -68.87 101.22 1.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.31 0.576 . . . . 10.0 111.044 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.47 173.9 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.375 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -169.62 2.69 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.825 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 23.8 t70 -85.51 161.8 19.2 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.97 -37.72 80.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.817 0.341 . . . . 10.0 111.131 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.48 39.33 2.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.235 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 14.9 t-20 -162.73 139.6 7.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 10.0 110.978 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.5 p -98.85 -10.78 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.152 0.501 . . . . 10.0 110.52 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -94.37 15.04 18.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.163 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.825 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 62.1 t -134.52 123.62 42.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.762 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 42.1 m0 -105.7 140.88 38.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.023 0.439 . . . . 10.0 111.261 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -118.46 123.36 44.99 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.003 -1.11 . . . . 10.0 108.003 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.26 161.53 42.48 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.515 -0.474 . . . . 10.0 112.233 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.6 mt -113.81 123.03 48.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.799 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.8 tp -91.7 131.42 37.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.907 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.477 HD13 ' HG2' ' A' ' 22' ' ' ARG . 10.4 mp -117.32 88.61 28.57 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.574 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.93 158.05 53.51 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.668 2.245 . . . . 10.0 111.582 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -99.41 -33.55 10.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 10.0 110.82 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 5.4 tp-100 -56.98 121.1 43.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.417 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 21.2 Cg_exo -67.97 147.4 74.03 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.623 2.216 . . . . 10.0 110.774 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -95.96 18.83 33.31 Favored 'Cis proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.972 -1.262 . . . . 10.0 112.222 -0.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -62.69 -24.22 67.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.981 0.419 . . . . 10.0 111.415 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.558 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 0.7 OUTLIER -75.32 -0.26 19.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.906 0.706 . . . . 10.0 112.906 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -75.77 -29.61 58.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.76 0.314 . . . . 10.0 110.666 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.632 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 54.4 mmtt -140.99 -163.41 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.75 161.29 31.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.674 0.273 . . . . 10.0 110.373 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -126.51 134.13 50.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.192 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -91.1 136.13 33.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.782 0.325 . . . . 10.0 110.795 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.08 154.96 35.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.597 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -124.35 110.4 14.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.736 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.762 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 44.4 mt -93.97 117.72 38.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.489 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.52 114.56 28.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.439 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -89.2 130.82 42.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.215 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.611 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 72.0 Cg_endo -76.35 154.86 36.57 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.462 2.108 . . . . 10.0 111.229 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.4 -19.66 55.25 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.323 2.015 . . . . 10.0 111.855 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.595 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.1 mp0 -97.19 16.9 18.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.655 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 61' ' ' PRO . 35.3 t80 -62.01 140.19 95.83 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 60' ' ' TYR . 66.3 Cg_endo -98.73 25.64 18.95 Favored 'Cis proline' 0 C--N 1.35 0.623 0 C-N-CA 124.232 -1.153 . . . . 10.0 113.358 0.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -75.22 -25.5 58.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.484 0.659 . . . . 10.0 109.283 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.786 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -112.42 137.09 21.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.013 -0.994 . . . . 10.0 108.757 178.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.786 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 33.9 Cg_endo -65.76 137.64 50.41 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.724 2.282 . . . . 10.0 112.676 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.611 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 60.3 Cg_endo -73.77 151.49 46.17 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.519 2.146 . . . . 10.0 111.181 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 30.2 mtm -102.34 112.53 25.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.739 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.739 HG12 HG23 ' A' ' 54' ' ' ILE . 60.2 mt -113.3 122.88 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.013 0.435 . . . . 10.0 110.489 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.472 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 3.6 ptmm? -137.34 163.26 31.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.002 -0.544 . . . . 10.0 109.716 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -89.11 134.8 33.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.5 -33.8 31.68 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.33 178.85 5.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.107 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 146' ' ' PHE . 75.5 mmtt -97.66 128.49 44.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.788 0.327 . . . . 10.0 110.681 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.6 tt -128.19 129.68 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.234 0.54 . . . . 10.0 111.552 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -84.68 81.51 8.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.399 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -132.86 134.87 25.06 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.657 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.632 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 39.7 Cg_endo -66.59 -4.5 11.04 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.939 2.426 . . . . 10.0 113.762 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -116.44 17.85 15.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.058 0.456 . . . . 10.0 110.528 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.4 t -139.01 142.92 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -87.04 172.32 10.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.61 0.243 . . . . 10.0 111.187 179.7 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.28 -29.22 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.579 0.585 . . . . 10.0 112.579 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' OD1' ' HE3' ' A' ' 68' ' ' LYS . 23.6 t-20 -76.44 -33.87 58.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.201 0.524 . . . . 10.0 110.03 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.35 19.79 3.78 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.582 -0.736 . . . . 10.0 111.839 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -82.23 137.18 34.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.833 0.349 . . . . 10.0 110.517 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -127.29 140.59 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.587 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.681 ' HB2' HD11 ' A' ' 120' ' ' LEU . 62.8 m -104.04 108.66 20.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.417 . . . . 99.989999999999995 109.988 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.4 HD13 HD11 ' A' ' 89' ' ' ILE . 5.0 mp -116.77 120.53 34.08 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.806 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.21 -31.72 94.12 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.987 2.458 . . . . 10.0 111.954 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.654 HD11 HG21 ' A' ' 98' ' ' THR . 10.0 tp -62.78 -33.99 63.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.672 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.4 HD11 HD13 ' A' ' 86' ' ' LEU . 18.3 pt -113.27 29.58 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.251 0.548 . . . . 10.0 110.76 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.9 p -86.56 155.88 20.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.846 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.91 -7.39 45.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.087 0.47 . . . . 10.0 110.775 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -101.24 -28.71 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -128.84 25.53 5.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -75.29 123.98 26.29 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.405 -0.518 . . . . 10.0 111.503 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.441 ' HB2' ' HG1' ' A' ' 98' ' ' THR . 41.2 mtpt -113.77 117.27 44.61 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -58.92 -21.85 59.91 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 123.117 2.544 . . . . 10.0 113.292 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -9.01 58.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.798 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.654 HG21 HD11 ' A' ' 88' ' ' ILE . 1.3 m -84.2 134.13 34.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.438 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -92.63 160.17 15.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.782 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -60.35 -30.85 69.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.216 0.45 . . . . 10.0 112.216 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 1.023 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -60.77 -37.41 81.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.36 . . . . 10.0 110.95 179.656 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.17 -36.05 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.17 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.76 -42.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.437 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.418 HD21 HD11 ' A' ' 54' ' ' ILE . 62.4 mt -64.87 -35.28 80.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.175 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 109' ' ' VAL . 23.4 tt0 -63.9 -46.89 82.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.091 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.08 96.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.614 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.6 -47.38 84.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.516 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.93 -41.29 82.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.418 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 105' ' ' GLU . 83.2 t -63.04 -45.12 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.805 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.0 -31.73 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.835 0.309 . . . . 10.0 111.835 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.65 -44.5 52.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.037 0.446 . . . . 10.0 110.976 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.425 ' O ' ' HD3' ' A' ' 114' ' ' PRO . 46.9 m-80 -75.93 -33.55 59.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.322 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -113.1 92.19 20.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.003 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 112' ' ' ASN . 16.5 Cg_exo -67.88 106.09 1.25 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.433 2.089 . . . . 10.0 111.485 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -65.76 111.12 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.235 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.0 pt -84.19 -14.47 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.849 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.3 mtp-105 -76.57 -48.42 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.962 0.41 . . . . 10.0 110.84 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -127.74 79.73 73.11 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.036 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -95.08 175.82 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.828 2.352 . . . . 10.0 111.393 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.9 mp -103.36 -20.98 13.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.449 0.642 . . . . 10.0 109.485 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.452 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 47.3 mtp180 -132.15 97.68 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.238 -0.892 . . . . 10.0 110.025 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.411 ' SD ' HD22 ' B' ' 71' ' ' LEU . 4.8 mpp? -64.82 -25.23 67.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.539 ' HB3' ' HB ' ' B' ' 9' ' ' THR . 20.1 p-10 -68.51 -37.64 80.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 10.0 111.098 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.537 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 2.3 mp -81.76 -35.51 29.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.584 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.3 86.12 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.046 -0.524 . . . . 10.0 109.846 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -60.16 -44.49 94.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.305 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.437 HD11 HD23 ' A' ' 134' ' ' LEU . 12.0 tp -61.6 -47.13 86.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.324 -0.853 . . . . 10.0 111.133 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.8 -32.43 73.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.999 0.428 . . . . 10.0 111.729 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.7 m -78.01 -33.83 51.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.981 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -80.95 -54.86 5.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.497 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -139.83 101.92 7.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.991 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -62.93 -36.93 57.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.821 2.347 . . . . 10.0 112.348 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.561 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 20.3 tp10 -64.75 -42.99 94.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.835 0.35 . . . . 10.0 110.883 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.437 HD23 HD11 ' A' ' 127' ' ' LEU . 33.1 tp -59.41 -42.22 91.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.865 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.632 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 60.8 t80 -68.24 -40.58 81.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.603 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -57.3 -43.03 82.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.323 -0.853 . . . . 10.0 111.195 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.561 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 62.6 mttm -63.82 -50.76 67.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.998 0.428 . . . . 10.0 111.204 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.02 -44.69 97.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.323 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.8 88.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.341 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -58.53 -54.46 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.057 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -58.72 -43.71 90.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.826 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.61 -43.36 97.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.392 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.463 HG22 ' HB2' ' A' ' 48' ' ' LYS . 19.2 m -67.03 -37.58 84.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.248 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 91.0 mt -88.58 15.13 8.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.56 -0.291 . . . . 10.0 111.69 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -132.7 -45.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 83.1 m-85 -112.28 18.92 18.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.856 0.36 . . . . 10.0 111.169 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -108.54 163.65 12.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.694 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.532 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 35.9 t -91.44 150.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.632 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 2.9 t0 -64.21 144.91 56.78 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.694 -0.402 . . . . 10.0 111.3 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.558 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 1.8 ttt180 -83.11 116.77 66.06 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.977 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo . . . . . 0 C--O 1.252 1.204 0 C-N-CA 123.253 2.635 . . . . 10.0 112.277 -179.576 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.831 0.348 . . . . 10.0 110.688 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -88.42 126.69 35.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.545 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.4 pt -126.25 164.72 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.584 -0.525 . . . . 10.0 109.584 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -121.22 125.13 46.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.747 0.308 . . . . 10.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.485 ' HB ' HG13 ' B' ' 13' ' ' ILE . 21.8 t -106.98 107.18 22.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -100.23 128.24 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.414 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.536 HG22 HD23 ' B' ' 69' ' ' LEU . 40.0 p -89.11 -179.93 6.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.176 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.652 HD11 HG13 ' B' ' 70' ' ' VAL . 86.9 mt -82.82 -1.98 53.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.051 0.453 . . . . 10.0 110.753 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.539 ' HB ' ' HB3' ' A' ' 123' ' ' ASP . 0.8 OUTLIER -105.81 11.21 32.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.003 0.43 . . . . 10.0 111.402 -179.547 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.71 -26.8 7.0 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.805 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -64.15 112.12 2.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.862 0.363 . . . . 10.0 111.165 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.2 m -107.8 127.56 53.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.623 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.485 HG13 ' HB ' ' B' ' 5' ' ' VAL . 15.4 pt -113.8 139.67 38.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.87 0.367 . . . . 10.0 111.315 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.8 m -85.31 137.8 32.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.758 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' B' ' 29' ' ' LYS . 22.3 tp -137.37 150.48 47.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.372 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -112.63 119.76 39.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.334 0.588 . . . . 10.0 111.2 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.61 HG11 HG22 ' B' ' 26' ' ' VAL . 2.4 m -143.82 152.83 15.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.478 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.406 ' O ' HD12 ' B' ' 56' ' ' LEU . 67.0 mm-40 -101.13 158.89 30.94 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.457 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 50.3 Cg_exo -55.26 -23.29 36.51 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.394 2.062 . . . . 10.0 112.797 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -80.22 -14.62 58.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.867 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.33 137.55 56.13 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.921 0.391 . . . . 10.0 110.53 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 5.0 p -87.99 157.68 18.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.646 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.485 HG13 ' HB3' ' B' ' 50' ' ' LEU . 42.3 mm -59.71 -36.03 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.95 -40.19 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.109 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -71.08 -36.58 72.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.234 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.61 HG22 HG11 ' B' ' 17' ' ' VAL . 87.4 t -61.21 -43.32 96.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.628 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.29 -42.38 86.5 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.721 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.07 -40.41 96.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.32 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.727 ' HB3' HD11 ' B' ' 15' ' ' LEU . 94.2 mttt -65.56 -29.83 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.901 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.9 mt -73.53 -43.4 55.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.78 -25.86 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.586 -0.733 . . . . 10.0 109.969 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 9.1 t70 -59.73 -37.87 80.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.459 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.437 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 13.3 ptpt -101.25 -40.67 7.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.704 1.001 . . . . 10.0 113.704 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -88.6 -52.91 4.9 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.24 -14.13 18.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.223 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 60.6 mt -61.36 119.69 48.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 110.443 -0.206 . . . . 10.0 110.443 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 31.7 Cg_exo -60.59 141.56 95.57 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.723 2.282 . . . . 10.0 112.201 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -56.08 -28.32 69.23 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.32 2.68 . . . . 10.0 112.161 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -64.35 -24.07 67.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.389 0.614 . . . . 10.0 110.603 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.607 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 20.9 mt-30 -107.44 15.74 24.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.576 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -108.47 113.28 26.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.539 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.736 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 61.6 ttt-85 -112.73 95.72 5.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.656 ' HB3' HD12 ' B' ' 50' ' ' LEU . 62.3 mt -86.95 124.3 33.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.09 -0.505 . . . . 10.0 112.119 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.5 mm -119.12 126.85 75.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.237 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -121.1 105.14 10.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.661 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.05 35.81 25.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.909 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.44 -15.99 60.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.033 -0.604 . . . . 10.0 112.768 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -89.32 126.82 35.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.464 -0.199 . . . . 10.0 110.464 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -76.68 124.59 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.656 HD12 ' HB3' ' B' ' 43' ' ' LEU . 83.7 mt -76.87 115.98 17.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.964 0.411 . . . . 10.0 111.774 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.422 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 2.2 tm-20 -80.26 133.77 36.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.84 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.87 -41.97 62.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.65 -4.17 84.56 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 121.041 -0.599 . . . . 10.0 114.584 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.422 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 5.5 mmp_? -94.72 157.87 15.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.48 0.64 . . . . 10.0 111.288 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 70.5 p -103.02 171.77 7.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 86.1 mt -67.61 -23.31 65.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.901 0.381 . . . . 10.0 110.356 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -75.32 -22.31 57.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.868 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.68 -40.3 95.17 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.617 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -99.94 6.36 45.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.988 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 56.02 63.52 2.0 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.333 0.587 . . . . 10.0 110.739 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -97.66 128.5 48.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.635 -0.712 . . . . 10.0 110.727 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -101.89 -171.87 2.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.052 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.503 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 11.1 pttp -78.93 160.46 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.456 0.17 . . . . 10.0 110.805 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 71.6 6.01 5.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.641 0.608 . . . . 10.0 112.641 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.9 m -72.42 141.93 48.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.92 0.391 . . . . 10.0 110.775 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.4 m -107.92 118.13 35.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.647 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.423 HD22 HD11 ' B' ' 50' ' ' LEU . 61.3 mt -96.35 135.74 37.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.967 -0.56 . . . . 10.0 109.566 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -89.86 115.45 27.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.892 -0.41 . . . . 10.0 109.892 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.536 HD23 HG22 ' B' ' 7' ' ' THR . 60.1 tp -96.98 107.98 20.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.122 0.487 . . . . 10.0 111.86 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.736 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 41.8 t -95.1 132.41 39.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.411 HD22 ' SD ' ' A' ' 122' ' ' MET . 46.1 tp -79.78 112.92 17.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.886 0.375 . . . . 10.0 111.753 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.607 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 7.0 ttp180 -90.97 76.24 6.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.492 ' H ' ' HG ' ' B' ' 73' ' ' LEU . 0.4 OUTLIER -71.92 121.62 19.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.907 -0.588 . . . . 10.0 112.323 -179.308 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -94.36 97.35 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.106 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.31 56.56 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.624 -0.798 . . . . 10.0 112.117 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.422 ' SG ' HD13 ' B' ' 73' ' ' LEU . 2.9 m . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.254 -0.879 . . . . 99.989999999999995 109.684 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.656 0.265 . . . . 10.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -31.42 67.36 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 46.1 ttm -53.14 -47.23 68.89 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.44 -0.346 . . . . 10.0 111.832 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -74.49 -39.47 62.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.611 -0.268 . . . . 10.0 110.579 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.8 t -55.81 -47.13 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.15 -41.98 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 10.0 110.543 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -43.28 85.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.106 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.828 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.0 mt-10 -63.95 -36.13 82.95 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.605 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.44 -47.37 86.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.936 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -60.48 -39.7 88.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.768 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -56.53 -52.08 66.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.2 0.524 . . . . 10.0 110.814 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -76.81 -21.84 54.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.518 -0.765 . . . . 10.0 112.734 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -78.76 -36.04 43.63 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.643 -0.423 . . . . 10.0 110.949 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -78.24 -36.88 46.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.44 0.638 . . . . 10.0 110.074 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -127.07 81.24 70.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.005 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 1.2 Cg_endo -85.07 126.6 3.3 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.13 2.553 . . . . 10.0 112.127 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 32.5 Cg_exo -61.61 146.49 96.81 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.402 2.068 . . . . 10.0 110.462 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 51.3 Cg_exo -55.2 -25.22 45.32 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.753 2.302 . . . . 10.0 113.236 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -94.13 4.78 53.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.462 HD21 HD13 ' A' ' 24' ' ' LEU . 24.4 tp -124.72 102.01 7.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -108.33 136.85 47.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 63.3 t30 56.88 74.69 0.4 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.939 -1.028 . . . . 10.0 113.239 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 36' ' ' ALA . 7.1 tp -95.74 97.08 9.42 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.997 -0.742 . . . . 10.0 108.997 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -122.72 143.39 49.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.056 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.13 162.27 28.65 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.618 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 20.7 t70 -64.72 149.69 48.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.909 0.385 . . . . 10.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.05 -39.2 71.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.561 -0.745 . . . . 10.0 112.466 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.81 -38.63 6.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.175 0.806 . . . . 10.0 113.175 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.618 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 16.0 t-20 -109.03 130.05 55.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -82.5 -14.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.747 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.61 -3.62 57.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.441 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.432 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 49.0 t -114.28 119.67 61.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.785 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 45.8 m0 -106.57 140.94 38.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.822 0.344 . . . . 10.0 111.198 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -122.22 121.62 37.25 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HB3' HD11 ' A' ' 52' ' ' LEU . . . -149.24 164.81 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.759 0.314 . . . . 10.0 111.524 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.6 mt -111.11 121.71 46.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.517 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.519 ' HB2' HD23 ' A' ' 52' ' ' LEU . 28.0 tp -87.81 134.88 33.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mp -118.65 86.86 30.51 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.627 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.31 151.05 59.81 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.456 2.104 . . . . 10.0 110.353 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.01 -1.92 25.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.851 0.358 . . . . 10.0 111.647 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.455 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 20.9 tp60 -86.78 131.71 44.45 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.522 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 22.6 Cg_exo -67.68 143.74 63.19 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.603 2.202 . . . . 10.0 110.831 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 63.3 Cg_endo -97.73 10.96 34.67 Favored 'Cis proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.757 -1.351 . . . . 10.0 112.393 0.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -62.2 -24.16 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.457 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -4.25 13.1 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.136 0.791 . . . . 10.0 113.136 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -86.34 -19.98 29.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.145 0.424 . . . . 10.0 112.145 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -139.34 -171.4 3.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.73 0.3 . . . . 10.0 110.796 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.6 155.82 41.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.778 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -125.91 127.98 46.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.781 0.324 . . . . 10.0 111.243 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -81.43 131.32 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.471 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.519 HD23 ' HB2' ' A' ' 38' ' ' LEU . 1.9 pp -114.39 150.04 35.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.898 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -118.06 107.91 14.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.108 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.785 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 65.0 mt -92.94 119.39 40.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.684 -0.488 . . . . 10.0 109.684 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.62 109.63 19.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.954 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -87.86 125.85 63.32 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.639 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 73.7 Cg_endo -76.54 152.52 33.84 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.332 2.021 . . . . 10.0 111.239 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.15 -14.75 46.85 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.613 2.209 . . . . 10.0 111.754 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -91.91 14.29 16.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.008 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.54 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 15.4 t80 -66.46 144.58 98.73 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.54 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 94.4 Cg_endo -98.25 26.74 18.03 Favored 'Cis proline' 0 N--CA 1.458 -0.568 0 C-N-CA 124.281 -1.133 . . . . 10.0 112.731 0.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -78.9 -22.85 45.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.401 0.62 . . . . 10.0 109.699 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -116.74 140.08 26.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.311 -0.859 . . . . 10.0 109.972 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.426 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 45.0 Cg_endo -68.16 143.14 58.14 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.86 2.373 . . . . 10.0 113.081 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.5 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 56.1 Cg_endo -72.41 143.29 38.55 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.704 2.269 . . . . 10.0 111.617 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.0 mtm -92.23 99.29 12.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.782 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.587 HG12 HG23 ' A' ' 54' ' ' ILE . 54.7 mt -104.04 126.08 58.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.002 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.492 ' HE3' ' HB2' ' A' ' 68' ' ' LYS . 12.5 ptmt -138.42 169.69 17.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.42 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -98.21 127.8 44.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.723 0.297 . . . . 10.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.6 -28.25 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.441 HG21 ' HA2' ' A' ' 147' ' ' GLY . 15.8 m -93.85 131.91 38.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.374 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -66.88 115.41 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 10.0 111.194 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 tt -117.32 127.82 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.893 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.02 77.71 6.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -123.1 135.17 25.63 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.759 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 18.9 Cg_endo -60.67 -6.34 5.66 Favored 'Trans proline' 0 N--CA 1.478 0.559 0 C-N-CA 123.169 2.579 . . . . 10.0 114.195 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -117.24 15.7 14.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.869 0.366 . . . . 10.0 110.605 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.05 140.33 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.92 179.45 5.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.602 0.239 . . . . 10.0 111.516 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -63.16 -30.61 71.73 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -76.16 -29.65 57.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 10.0 111.036 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.48 24.12 6.91 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.458 -0.657 . . . . 10.0 111.458 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -86.64 150.83 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.194 -0.299 . . . . 10.0 110.194 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pt -137.28 148.47 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.89 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 0.8 OUTLIER -110.31 103.74 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.151 -0.477 . . . . 99.989999999999995 111.015 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.504 ' HB3' HG22 ' A' ' 88' ' ' ILE . 8.5 mp -107.97 122.43 40.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.724 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 13.6 Cg_exo -70.24 3.7 2.84 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.145 2.563 . . . . 10.0 113.052 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.504 HG22 ' HB3' ' A' ' 86' ' ' LEU . 20.7 tt -96.47 -20.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.983 0.421 . . . . 10.0 110.361 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 64' ' ' PRO . 19.7 pt -126.45 25.02 2.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.416 0.626 . . . . 10.0 110.149 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 20.3 p -79.69 162.55 25.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.923 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -71.66 -23.53 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.266 0.555 . . . . 10.0 110.238 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -83.77 -45.53 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.855 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -119.29 107.69 13.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -153.52 135.5 14.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.284 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 17.2 mtpt -133.28 121.69 16.71 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.635 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 30.5 Cg_exo -64.2 -14.03 41.37 Favored 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 123.192 2.595 . . . . 10.0 112.363 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -74.88 -17.09 60.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.111 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.35 144.31 30.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.646 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.828 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 59.9 mtpt -108.2 171.31 7.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.218 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -59.45 -31.28 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.472 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -50.9 69.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.876 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -68.6 -31.69 71.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.796 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.47 -45.36 89.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.69 -34.3 77.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.666 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 109' ' ' VAL . 3.8 tt0 -63.91 -47.61 79.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.98 -38.15 81.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.284 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 111' ' ' VAL . 49.0 tp -62.99 -46.37 88.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.492 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -58.86 -40.41 84.21 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.081 0.467 . . . . 10.0 110.297 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 105' ' ' GLU . 61.2 t -63.75 -45.64 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.281 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.57 -30.46 71.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.611 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 107' ' ' LEU . 73.2 t -74.83 -49.44 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.01 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -71.3 -32.89 69.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.303 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' A' ' 113' ' ' ARG . 17.6 mmm180 -117.5 91.04 36.83 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.01 121.2 7.84 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.966 2.444 . . . . 10.0 111.897 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -76.88 111.84 12.84 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.2 pt -89.8 -14.95 8.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.651 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -85.3 -30.97 23.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.355 0.598 . . . . 10.0 109.766 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -132.17 66.6 77.73 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.2 -0.909 . . . . 10.0 109.707 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -97.19 174.61 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.955 2.437 . . . . 10.0 112.526 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.15 -15.9 14.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.373 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.569 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 14.4 mtp180 -127.39 105.71 8.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.51 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 92.5 mtp -69.31 -25.61 64.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.778 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.569 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 18.6 p-10 -68.5 -40.78 80.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.474 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.651 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.6 mp -84.57 -35.24 22.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.546 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.61 83.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 10.0 111.195 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 2.5 t0 -63.28 -43.55 97.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.157 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.46 -45.72 84.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.56 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.23 -34.32 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.012 0.434 . . . . 10.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.2 m -71.03 -34.95 71.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 47.1 mm-40 -82.31 -57.27 3.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.786 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -141.63 104.02 5.88 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.836 0.35 . . . . 10.0 111.163 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.98 -32.46 65.24 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.083 2.522 . . . . 10.0 112.093 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.523 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 37.0 tp10 -68.36 -44.03 76.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.552 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 27.5 tp -62.85 -38.93 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.184 0.516 . . . . 10.0 109.92 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.651 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 73.5 t80 -66.76 -42.78 85.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.505 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.3 ttp85 -59.87 -40.56 89.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.347 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.523 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 65.2 mttm -55.85 -57.21 13.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.84 0.353 . . . . 10.0 111.486 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -64.14 -41.52 97.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.629 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.62 81.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.773 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.75 -48.21 75.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.322 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.17 -40.4 89.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.912 0.387 . . . . 10.0 110.059 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -62.99 -45.01 94.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.215 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 31.0 m -64.48 -45.33 87.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.266 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 65.7 mt -79.81 15.89 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.722 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -127.14 -56.9 1.33 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.884 0.373 . . . . 10.0 111.256 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -89.46 -33.69 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.563 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.441 ' HA2' HG21 ' A' ' 71' ' ' THR . . . -63.73 153.6 46.96 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.96 -0.564 . . . . 10.0 113.434 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 15.0 t -83.61 147.54 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -55.98 137.41 50.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.612 0.244 . . . . 10.0 111.472 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -63.99 121.32 70.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.582 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo . . . . . 0 C--O 1.25 1.116 0 C-N-CA 122.726 2.284 . . . . 10.0 112.284 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.0 ptt? . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.651 0.262 . . . . 10.0 110.436 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -86.39 130.93 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.015 0.436 . . . . 10.0 111.38 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 pt -131.23 168.4 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' B' ' 66' ' ' THR . 94.7 m-85 -119.76 131.97 55.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.708 0.29 . . . . 10.0 111.341 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -113.64 114.85 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -103.82 120.47 41.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 10.0 111.364 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.517 HG22 HD23 ' B' ' 69' ' ' LEU . 23.8 p -80.43 177.57 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.573 HD11 HG13 ' B' ' 70' ' ' VAL . 74.5 mt -74.68 -10.69 59.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.919 0.39 . . . . 10.0 111.424 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.402 HG21 ' H ' ' A' ' 123' ' ' ASP . 0.2 OUTLIER -98.09 2.75 49.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.08 0.467 . . . . 10.0 111.072 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.44 -12.39 68.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 10.0 113.107 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -67.82 108.27 2.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -98.28 119.39 36.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.698 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 pt -105.48 151.17 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.385 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.54 120.39 32.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.819 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' B' ' 29' ' ' LYS . 17.0 tp -121.2 147.39 45.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.85 0.357 . . . . 10.0 110.574 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -122.25 115.82 23.04 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.128 0.489 . . . . 10.0 111.309 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' B' ' 1' ' ' MET . 0.2 OUTLIER -146.1 160.42 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.577 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 58.6 mm-40 -106.34 160.16 27.19 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.484 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 50.9 Cg_exo -56.09 -25.89 56.9 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.55 2.167 . . . . 10.0 112.573 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.52 -6.27 58.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.951 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.5 m-20 -77.05 143.21 39.46 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.81 0.338 . . . . 10.0 111.091 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 21.7 p -86.83 156.12 20.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.104 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.45 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 50.8 mm -61.43 -34.92 63.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.905 0.383 . . . . 10.0 110.099 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.67 -41.31 97.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.164 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -69.19 -34.92 75.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.108 0.48 . . . . 10.0 109.982 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.482 HG22 HG11 ' B' ' 17' ' ' VAL . 79.4 t -61.26 -44.47 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.45 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.94 -39.48 89.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.573 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.78 86.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.633 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.518 ' HB3' HD11 ' B' ' 15' ' ' LEU . 73.2 mttt -67.87 -38.32 82.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.567 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.04 -38.12 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 10.0 109.84 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -67.41 -32.66 73.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.182 0.515 . . . . 10.0 110.116 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.33 -52.34 58.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.677 -0.692 . . . . 10.0 112.085 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -45.1 19.3 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -87.49 -75.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.736 0.303 . . . . 10.0 111.071 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.24 -13.87 3.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.648 -0.787 . . . . 10.0 111.969 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 50.1 mt -57.53 123.21 60.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.264 . . . . 10.0 110.488 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.0 Cg_exo -57.74 136.53 76.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.958 2.438 . . . . 10.0 111.622 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.1 Cg_exo -56.58 -27.08 67.77 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.188 2.592 . . . . 10.0 111.751 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.91 -26.84 65.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.51 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.643 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 43.7 mt-30 -102.09 12.7 36.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.381 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 74.0 mt-30 -99.93 104.5 16.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.084 0.401 . . . . 10.0 112.084 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.663 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 31.7 ttt180 -105.33 90.68 3.5 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 178.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' B' ' 50' ' ' LEU . 47.7 mt -82.68 125.42 31.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.705 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.42 ' CD1' ' HG2' ' B' ' 49' ' ' GLN . 29.6 mm -115.59 134.53 58.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.422 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.666 ' HB3' HD21 ' B' ' 50' ' ' LEU . 90.7 t80 -151.89 134.67 15.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.86 27.82 17.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.056 0.455 . . . . 10.0 111.592 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.32 -2.1 83.02 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.771 -0.65 . . . . 10.0 113.694 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -119.75 160.92 21.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.991 0.424 . . . . 10.0 111.827 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.42 ' HG2' ' CD1' ' B' ' 44' ' ' ILE . 22.6 mt-30 -84.58 136.99 33.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.746 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' B' ' 45' ' ' PHE . 71.1 mt -79.64 112.76 17.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.08 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -76.27 130.39 38.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.898 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.45 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.3 m-20 -53.33 -40.26 64.73 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.164 0.801 . . . . 10.0 113.164 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.93 19.19 7.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.907 -0.663 . . . . 10.0 113.987 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.441 ' HD3' ' CG ' ' B' ' 58' ' ' ASP . 5.8 mmp_? -123.41 168.93 11.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.249 0.524 . . . . 10.0 110.552 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 20.4 p -108.96 173.94 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.484 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 52.1 mt -65.59 -31.38 72.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 10.0 111.228 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -22.21 63.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.313 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.441 ' CG ' ' HD3' ' B' ' 54' ' ' ARG . 6.0 m-20 -64.47 -29.65 70.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -110.47 8.51 23.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.127 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 57.44 43.92 22.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.407 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -76.23 120.2 25.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.908 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -102.42 -172.39 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.271 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -74.3 155.1 38.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.603 0.24 . . . . 10.0 111.334 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 63.64 21.99 12.95 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.698 0.629 . . . . 10.0 112.698 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.3 m -86.84 139.8 30.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.676 -0.238 . . . . 10.0 110.425 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 8.9 m -100.67 119.96 39.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.866 0.365 . . . . 10.0 111.249 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 73.1 mt -97.28 139.87 32.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -94.2 112.37 24.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.106 -0.331 . . . . 10.0 110.106 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.517 HD23 HG22 ' B' ' 7' ' ' THR . 56.5 tp -95.77 105.18 17.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.07 0.462 . . . . 10.0 111.585 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.663 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 61.3 t -93.67 123.8 45.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.21 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mp -76.3 108.3 9.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.783 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.643 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 13.2 ttp85 -77.74 90.63 4.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.105 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -72.22 109.96 6.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.099 0.476 . . . . 10.0 110.866 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 74' ' ' ARG . 2.1 ttp180 -114.76 132.4 56.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.071 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 90' ' ' SER . . . 127.66 -36.28 2.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.663 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 62.6 m . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.445 -0.788 . . . . 10.0 110.772 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.477 0.18 . . . . 10.0 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -39.64 49.33 Favored 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.3 mtm -53.17 -54.7 31.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.732 0.301 . . . . 10.0 111.779 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -71.62 -37.2 70.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.615 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.0 t -57.61 -48.57 82.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.782 0.325 . . . . 10.0 110.433 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.83 -36.12 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 10.0 110.307 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.46 -46.29 83.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.538 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.54 -34.08 73.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.19 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.64 -45.92 91.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -63.04 -43.74 97.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.672 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -54.68 -53.92 48.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.56 -25.61 61.42 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.103 0.779 . . . . 10.0 113.103 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -79.15 -32.7 44.44 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.696 -0.402 . . . . 10.0 111.019 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -74.57 -38.88 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -128.4 81.25 70.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.523 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 6.7 Cg_exo -74.66 134.8 18.9 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.987 2.458 . . . . 10.0 112.366 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 27.2 Cg_exo -64.3 145.98 89.34 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.609 2.206 . . . . 10.0 110.744 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.6 Cg_exo -61.27 -14.99 37.36 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.795 2.33 . . . . 10.0 112.814 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -108.29 11.32 27.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.494 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 18' ' ' PRO . 17.2 tp -132.81 124.1 27.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.674 0.273 . . . . 10.0 110.586 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -133.52 163.17 30.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.617 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.9 t30 57.64 31.8 20.92 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.796 -0.638 . . . . 10.0 112.343 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 25.3 tp -69.63 104.87 2.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.946 0.403 . . . . 10.0 110.821 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.99 164.67 27.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.273 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 p -87.9 161.09 17.67 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 12.1 t70 -63.49 145.33 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -52.69 -40.59 63.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.486 0.551 . . . . 10.0 112.486 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.86 -31.71 6.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.712 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 19.7 t-20 -100.32 121.95 42.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.269 0.557 . . . . 10.0 112.294 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.19 -15.2 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.726 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.4 mt -93.47 10.52 32.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.424 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.9 t -126.96 125.99 67.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.805 0.336 . . . . 10.0 110.382 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.63 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 48.7 m0 -103.95 144.29 31.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.959 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -126.27 115.57 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.093 -1.077 . . . . 10.0 108.093 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 24' ' ' LEU . . . -145.73 169.7 17.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 10.0 112.046 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -113.39 129.46 56.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.378 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.529 ' HB2' HD23 ' A' ' 52' ' ' LEU . 28.1 tp -94.35 132.45 38.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -112.52 90.36 14.51 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.731 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 16.9 Cg_exo -68.59 146.88 68.95 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.407 2.071 . . . . 10.0 111.622 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -99.53 -28.44 13.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.706 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -72.81 129.64 86.44 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.92 150.79 67.74 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.739 2.293 . . . . 10.0 110.919 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -92.64 15.41 46.13 Favored 'Cis proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.962 -1.266 . . . . 10.0 112.255 -0.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -70.29 -9.91 57.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.574 0.702 . . . . 10.0 110.268 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -78.34 -11.31 59.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.827 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.92 -39.49 66.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 51.7 mmtt -132.66 -160.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.57 -0.286 . . . . 10.0 110.571 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -132.5 168.03 18.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -131.39 143.65 50.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.596 0.236 . . . . 10.0 110.666 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -93.5 135.47 34.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.739 0.304 . . . . 10.0 110.794 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.529 HD23 ' HB2' ' A' ' 38' ' ' LEU . 2.7 pp -122.38 151.36 41.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.104 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -122.88 112.96 18.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.235 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.675 HG23 HG12 ' A' ' 67' ' ' ILE . 54.1 mt -99.53 112.78 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -108.35 120.46 42.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.918 0.39 . . . . 10.0 111.019 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -93.54 128.53 41.84 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.787 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.81 155.29 53.74 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.442 2.095 . . . . 10.0 111.045 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.24 12.52 0.62 Allowed 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.797 2.331 . . . . 10.0 112.061 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -120.42 17.67 12.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.559 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.476 ' CG ' ' HA ' ' A' ' 61' ' ' PRO . 6.5 t80 -67.95 144.06 96.83 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.196 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.476 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . 65.4 Cg_endo -97.37 25.01 21.51 Favored 'Cis proline' 0 C--N 1.347 0.49 0 C-N-CA 124.017 -1.243 . . . . 10.0 112.895 0.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -73.61 -29.23 62.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.204 0.526 . . . . 10.0 109.961 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -110.11 142.9 26.9 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.996 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.04 144.0 62.1 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.882 2.388 . . . . 10.0 113.467 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.25 133.62 16.45 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.683 2.255 . . . . 10.0 111.01 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.3 mtm -87.32 107.79 18.67 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.029 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.675 HG12 HG23 ' A' ' 54' ' ' ILE . 40.5 mt -108.25 118.35 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.122 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.466 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 9.2 ptmm? -128.68 159.36 35.87 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -85.97 140.85 29.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.772 0.32 . . . . 10.0 110.51 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.87 4.51 45.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.385 0.612 . . . . 10.0 109.723 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.34 155.99 48.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.571 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.551 ' HB3' ' HE2' ' A' ' 142' ' ' PHE . 32.8 mtpt -82.98 104.04 12.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.961 0.41 . . . . 10.0 111.453 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.1 tt -104.35 124.01 58.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.699 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -78.2 74.53 4.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.425 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -123.32 132.71 24.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.123 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 19.6 Cg_endo -58.0 -20.83 47.01 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.18 2.587 . . . . 10.0 114.179 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 119' ' ' PRO . 13.5 m120 -107.5 18.25 21.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.752 0.311 . . . . 10.0 111.49 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.514 HG22 HG22 ' A' ' 84' ' ' ILE . 67.6 t -133.3 140.25 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.651 ' HB3' ' HB2' ' A' ' 83' ' ' GLN . 12.7 t70 -88.44 157.95 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.189 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.45 -24.06 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -83.94 -1.36 54.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.327 0.584 . . . . 10.0 110.197 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.89 19.38 43.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.982 -0.627 . . . . 10.0 111.608 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.651 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 10.3 mm100 -85.57 145.55 27.31 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.514 HG22 HG22 ' A' ' 78' ' ' VAL . 24.2 pt -134.59 176.23 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.574 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 1.3 m -137.85 102.93 4.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.621 -0.718 . . . . 99.989999999999995 109.121 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.56 ' HB3' HG12 ' A' ' 89' ' ' ILE . 3.3 tp -118.37 116.77 35.16 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.846 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 24.3 Cg_exo -64.9 -0.26 3.08 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.197 2.598 . . . . 10.0 113.301 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -95.04 -25.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.726 0.298 . . . . 10.0 111.234 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.56 HG12 ' HB3' ' A' ' 86' ' ' LEU . 8.8 pt -104.6 -27.43 3.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.982 -0.287 . . . . 10.0 111.367 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.8 p -51.95 142.36 15.81 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.367 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -7.58 1.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -71.96 -28.23 63.3 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.344 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -153.63 41.3 0.53 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.058 0.456 . . . . 10.0 111.634 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -83.27 127.99 34.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.041 0.448 . . . . 10.0 111.455 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -122.24 122.59 27.45 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.466 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.88 -18.09 47.54 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.301 2.668 . . . . 10.0 113.424 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.4 p -78.34 -12.03 59.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 10.0 111.301 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -80.43 134.52 36.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.591 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -90.48 161.47 15.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.416 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -64.89 -27.76 69.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.157 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.74 -37.5 86.83 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.166 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -70.9 -35.67 72.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.818 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.91 -46.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.856 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.476 HD21 HD11 ' A' ' 54' ' ' ILE . 80.7 mt -62.37 -33.22 74.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.485 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 109' ' ' VAL . 32.2 tt0 -65.66 -49.71 67.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.672 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.15 -39.49 90.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.983 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.99 -48.79 80.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.906 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -57.44 -39.95 77.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.659 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 105' ' ' GLU . 90.8 t -63.78 -48.4 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.187 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.52 -31.99 73.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 10.0 112.007 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.7 t -72.21 -48.24 49.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.691 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -73.81 -31.38 63.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.983 0.42 . . . . 10.0 111.682 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -119.54 95.39 49.21 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.11 122.4 9.48 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.977 2.451 . . . . 10.0 113.265 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -79.25 92.29 5.1 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.7 pt -72.96 -10.68 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 10.0 112.002 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -74.64 -42.47 58.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -134.99 77.34 56.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.951 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.413 ' HA ' ' ND2' ' A' ' 77' ' ' ASN . 63.1 Cg_endo -97.15 177.89 0.5 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.284 2.656 . . . . 10.0 112.433 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.8 mp -100.87 -43.29 6.13 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.402 ' HD3' HD22 ' A' ' 124' ' ' LEU . 9.5 mtp180 -101.75 103.63 14.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.196 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.7 mtp -56.75 -44.63 81.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.996 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -57.49 -48.33 79.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.504 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.541 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 6.6 mp -64.83 -39.83 94.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.618 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.66 74.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.966 0.412 . . . . 10.0 110.571 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 9.0 t0 -60.11 -53.05 62.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.615 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.576 HD11 HD23 ' A' ' 134' ' ' LEU . 12.9 tp -55.64 -45.47 77.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.224 -0.898 . . . . 10.0 112.048 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.401 HD13 ' CD2' ' A' ' 135' ' ' PHE . 67.4 tp -62.4 -31.96 72.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 10.0 111.628 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.9 m -79.76 -26.47 40.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.056 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 22.0 mm-40 -87.44 -51.66 5.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.244 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -140.77 106.63 6.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.724 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.13 -35.78 51.15 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.688 2.259 . . . . 10.0 112.103 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.484 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 38.4 tp10 -68.78 -39.37 80.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.177 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.576 HD23 HD11 ' A' ' 127' ' ' LEU . 12.7 tp -62.65 -42.69 99.75 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.95 0.405 . . . . 10.0 110.356 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.541 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 88.7 t80 -70.29 -39.12 75.06 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -58.6 -48.25 81.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.833 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.484 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 64.6 mttm -58.42 -43.31 88.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.995 0.426 . . . . 10.0 110.796 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -66.25 -50.43 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.64 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.84 91.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.82 -50.43 73.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 10.0 109.972 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -56.72 -46.19 81.43 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.395 -0.82 . . . . 10.0 110.544 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.551 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -66.35 -40.87 90.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.119 -179.281 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.516 HG22 ' HB2' ' A' ' 48' ' ' LYS . 27.3 m -63.89 -35.92 82.22 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.292 0.568 . . . . 10.0 111.097 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.0 mt -90.6 10.62 24.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.826 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -119.36 -49.1 2.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.269 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -121.91 33.74 5.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.96 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -112.72 151.77 18.1 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.148 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.523 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 10.5 t -80.84 156.65 4.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.47 150.65 26.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.796 0.331 . . . . 10.0 111.679 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.498 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 10.9 tpt180 -91.4 111.36 48.58 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.015 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo . . . . . 0 C--O 1.25 1.11 0 C-N-CA 122.752 2.301 . . . . 10.0 111.376 179.263 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -97.27 128.77 44.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.515 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -130.74 165.97 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' B' ' 66' ' ' THR . 98.6 m-85 -122.9 130.7 53.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.737 0.303 . . . . 10.0 110.853 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 t -115.08 111.61 36.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -101.4 128.43 47.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.925 0.393 . . . . 10.0 110.915 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.412 HG22 HD23 ' B' ' 69' ' ' LEU . 21.5 p -94.22 175.57 6.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.278 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.658 HD11 HG13 ' B' ' 70' ' ' VAL . 91.6 mt -73.55 -8.34 55.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.806 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.9 p -97.28 2.73 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.035 0.445 . . . . 10.0 111.06 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.28 -9.87 71.26 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.974 -0.631 . . . . 10.0 112.171 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -70.73 102.96 2.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.066 0.46 . . . . 10.0 110.091 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -96.7 110.4 22.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.023 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 27.2 pt -104.58 140.46 22.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.17 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 146.37 28.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' B' ' 29' ' ' LYS . 14.9 tp -136.19 133.5 37.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.147 0.499 . . . . 10.0 111.5 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -100.3 103.33 14.75 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.311 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.5 m -140.05 156.05 24.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.752 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.1 mm-40 -104.3 162.75 18.94 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.16 -26.15 58.91 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.089 1.86 . . . . 10.0 111.227 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.47 -10.99 59.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.343 -0.844 . . . . 10.0 112.108 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.6 OUTLIER -68.55 130.76 43.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.994 0.426 . . . . 10.0 111.093 -179.425 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.0 OUTLIER -80.04 152.38 29.43 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.746 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.566 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 41.0 mm -56.72 -36.58 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.989 0.423 . . . . 10.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.467 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 1.4 tt0 -61.53 -41.68 97.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.196 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.17 -34.76 78.23 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.081 0.467 . . . . 10.0 109.858 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.05 -45.16 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.219 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.45 -37.1 85.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.936 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.95 98.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.415 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.436 ' HB3' HD11 ' B' ' 15' ' ' LEU . 99.0 mttt -66.91 -35.24 79.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.818 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.54 -40.16 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -67.04 -26.63 66.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.3 0.572 . . . . 10.0 109.705 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.18 -45.48 73.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -85.85 -54.76 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.007 0.743 . . . . 10.0 113.007 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -79.23 -55.33 5.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.069 0.461 . . . . 10.0 111.746 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.22 -6.12 15.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.279 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 40.8 mt -66.57 121.74 78.65 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 38.7 Cg_exo -62.17 140.72 85.11 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.568 2.179 . . . . 10.0 111.265 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.5 Cg_exo -55.45 -23.21 37.73 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.189 2.593 . . . . 10.0 112.437 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.93 -32.24 73.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.989 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.58 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 50.4 mt-30 -99.82 3.41 44.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.201 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -91.28 97.56 11.19 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.103 0.408 . . . . 10.0 112.103 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.435 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 30.5 ttt180 -98.1 88.8 4.31 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.703 ' HB3' HD12 ' B' ' 50' ' ' LEU . 39.6 mt -80.71 120.98 25.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.996 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.54 129.32 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.598 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.588 ' HB3' HD21 ' B' ' 50' ' ' LEU . 61.8 t80 -131.15 120.87 23.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.933 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.04 19.17 5.73 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.12 0.785 . . . . 10.0 113.12 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.57 -4.7 50.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.027 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -110.45 149.28 30.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 10.0 111.222 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -84.65 130.32 34.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.605 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' B' ' 43' ' ' LEU . 79.2 mt -79.54 109.58 14.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.116 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -79.03 130.12 35.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.2 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.566 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 17.7 m-20 -53.0 -34.3 55.64 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.16 -13.69 82.52 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.858 -0.687 . . . . 10.0 114.18 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.408 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 3.1 mmp_? -97.55 163.8 12.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.299 0.549 . . . . 10.0 111.401 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 76.6 p -102.34 177.79 4.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 mt -69.25 -32.62 71.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.998 0.427 . . . . 10.0 110.225 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -14.85 63.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.38 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.5 m-20 -70.45 -27.73 64.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.652 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -112.35 10.54 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.182 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.2 t30 59.72 41.55 18.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.407 0.622 . . . . 10.0 111.175 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.4 mt -75.58 122.68 29.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.833 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -104.39 -173.9 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.916 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 151.84 41.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.347 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 66.22 16.85 10.58 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.116 0.784 . . . . 10.0 113.116 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.5 m -77.87 139.61 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.245 -0.28 . . . . 10.0 110.245 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.1 m -102.84 116.75 33.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.138 0.494 . . . . 10.0 111.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 49.5 mt -94.28 150.39 20.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.095 -0.706 . . . . 10.0 109.095 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -105.33 114.82 29.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.412 HD23 HG22 ' B' ' 7' ' ' THR . 46.7 tp -96.68 108.15 20.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.032 0.444 . . . . 10.0 111.259 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.658 HG13 HD11 ' B' ' 8' ' ' LEU . 11.1 t -97.62 130.05 46.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.314 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 33.2 tp -76.58 140.67 41.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.58 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 29.9 ttp85 -115.2 131.05 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.572 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.5 mt -101.65 125.54 48.32 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -84.87 -10.87 56.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.877 0.37 . . . . 10.0 111.351 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.51 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -173.98 160.12 29.86 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.484 -0.865 . . . . 10.0 112.326 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.485 -1.245 . . . . 99.989999999999995 108.9 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.402 ' HB1' ' HB3' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.805 0.336 . . . . 10.0 110.988 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -25.18 65.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 10.0 112.003 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.6 ttt -53.49 -46.31 69.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.567 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.409 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 12.2 ttp180 -79.11 -36.86 40.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.894 -0.323 . . . . 10.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -55.3 -47.86 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.537 . . . . 10.0 111.424 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.29 -41.01 89.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.909 0.385 . . . . 10.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -66.53 -43.87 83.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.057 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.94 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.503 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 44.0 tp -59.61 -50.96 71.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.94 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.534 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 12.6 tt0 -57.41 -48.05 80.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.347 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.38 -43.61 93.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.687 HD21 ' HB3' ' A' ' 101' ' ' CYS . 28.1 mt -67.67 -25.43 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.517 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -79.25 -17.06 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 10.0 110.498 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 76.9 mttt -81.15 -48.37 12.22 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -124.41 73.77 60.29 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.92 130.45 8.52 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.661 2.241 . . . . 10.0 111.178 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.84 149.82 81.29 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.615 2.21 . . . . 10.0 111.095 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.48 -27.86 51.74 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 123.014 2.476 . . . . 10.0 113.611 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -88.78 2.28 53.77 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 tp -123.89 113.41 18.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 10.0 110.185 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -122.88 158.14 30.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.437 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 56.6 32.91 21.81 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.945 0.72 . . . . 10.0 112.945 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.8 tp -65.47 109.19 2.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.119 0.485 . . . . 10.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -147.11 168.4 21.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.783 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 p -96.08 160.47 14.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.246 -0.434 . . . . 10.0 109.907 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.457 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 11.1 t70 -63.88 146.3 54.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.96 -18.53 64.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.361 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.55 -1.88 11.59 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.046 0.758 . . . . 10.0 113.046 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -157.54 130.99 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 10.0 111.323 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -79.86 -17.97 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -82.89 3.88 27.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 10.0 111.783 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 61.4 t -121.98 121.54 64.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.804 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 44.5 m0 -105.07 146.0 29.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.196 0.522 . . . . 10.0 111.942 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -124.29 121.67 35.65 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.908 -1.145 . . . . 10.0 107.908 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.32 155.86 40.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.954 0.406 . . . . 10.0 111.719 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.3 mt -106.51 122.16 45.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.869 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.2 tp -93.03 131.9 37.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.6 mp -113.0 94.37 29.55 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HB2' ' HB2' ' A' ' 45' ' ' TYR . 11.2 Cg_exo -72.12 150.31 53.72 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.675 2.25 . . . . 10.0 111.33 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -97.9 -36.19 10.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.904 0.383 . . . . 10.0 111.266 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.8 tp-100 -60.95 128.79 89.64 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.143 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 16.0 Cg_exo -69.57 148.73 66.94 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.658 2.239 . . . . 10.0 110.998 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -96.33 23.46 25.15 Favored 'Cis proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.719 -1.367 . . . . 10.0 112.279 0.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 40' ' ' PRO . 46.2 m-85 -69.8 -9.02 53.08 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.409 0.623 . . . . 10.0 110.291 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -74.32 -15.5 60.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.417 -0.811 . . . . 10.0 110.676 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.427 HD11 ' HG3' ' A' ' 140' ' ' GLU . 81.5 mt -65.38 -44.86 86.24 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.686 0.624 . . . . 10.0 112.686 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 71.3 mmtt -132.26 -162.78 1.26 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.852 0.358 . . . . 10.0 111.322 -178.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.49 167.94 15.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.405 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -132.52 132.87 43.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 10.0 111.05 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -88.75 131.61 34.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.566 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 pp -118.13 150.59 39.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.091 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -116.0 114.78 25.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.804 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 52.5 mt -98.96 108.66 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -104.19 111.87 24.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.917 0.389 . . . . 10.0 110.877 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -84.78 133.74 43.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.699 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.622 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 84.1 Cg_endo -79.84 154.5 23.14 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.664 2.242 . . . . 10.0 111.193 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -63.17 -15.06 45.66 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.701 2.267 . . . . 10.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.733 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 20.1 mp0 -93.94 8.9 39.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.549 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 23.0 t80 -60.19 141.64 90.46 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 65.1 Cg_endo -97.2 27.87 17.25 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 124.315 -1.119 . . . . 10.0 113.217 0.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -85.62 -12.74 50.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.367 0.603 . . . . 10.0 109.854 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.843 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -122.96 137.03 27.5 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.23 -0.895 . . . . 10.0 109.113 179.266 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.843 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 37.9 Cg_endo -66.67 139.75 53.97 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.675 2.25 . . . . 10.0 112.689 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.622 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 57.6 Cg_endo -73.21 145.2 38.55 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.673 2.249 . . . . 10.0 111.219 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 76.2 mtm -94.66 109.75 21.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.554 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.557 HG12 HG23 ' A' ' 54' ' ' ILE . 51.4 mt -110.16 126.68 67.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.579 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -137.28 158.45 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.657 179.023 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -90.89 120.04 31.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.71 0.291 . . . . 10.0 111.589 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -66.52 -45.61 78.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.319 -0.993 . . . . 10.0 108.319 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.05 145.9 26.3 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.307 -0.861 . . . . 10.0 108.686 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -82.01 132.79 35.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.95 0.405 . . . . 10.0 111.936 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.6 tt -125.07 128.31 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.539 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -76.42 80.35 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.987 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.474 ' HB3' HG23 ' A' ' 78' ' ' VAL . 59.8 t60 -130.6 136.34 28.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.211 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.586 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 28.2 Cg_endo -62.04 -9.47 14.7 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.365 2.71 . . . . 10.0 114.034 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -113.67 18.05 17.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.9 0.381 . . . . 10.0 110.777 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 75' ' ' HIS . 48.0 t -129.24 139.7 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -82.19 169.05 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.121 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.1 -24.98 67.45 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.455 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 11.3 t30 -84.68 -39.91 18.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 10.0 111.204 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.33 18.33 1.18 Allowed Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.919 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.45 146.63 25.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 10.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.4 HG22 HG22 ' A' ' 78' ' ' VAL . 1.8 pp -132.47 158.09 43.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.438 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.572 ' HB2' HD11 ' A' ' 120' ' ' LEU . 33.5 m -115.63 101.45 8.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.063 0.459 . . . . 99.989999999999995 109.981 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' A' ' 86' ' ' LEU . 5.9 tp -107.51 111.72 62.74 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.3 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.447 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 31.8 Cg_exo -59.95 -15.95 35.96 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.215 2.61 . . . . 10.0 113.529 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 tt -75.93 -20.15 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.983 0.42 . . . . 10.0 111.161 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 pt -129.02 32.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.318 0.58 . . . . 10.0 109.554 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.3 p -83.12 161.45 21.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.11 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -68.23 -17.67 64.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.264 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -103.22 -17.53 15.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.325 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 87' ' ' PRO . 15.2 m-80 -137.55 97.57 3.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 35.4 t-105 -149.78 133.99 17.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.215 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 47.2 mtpt -131.87 123.4 19.07 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.724 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 31.4 Cg_exo -61.16 -20.01 66.04 Favored 'Trans proline' 0 N--CA 1.475 0.423 0 C-N-CA 123.127 2.551 . . . . 10.0 112.92 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -74.26 -13.31 60.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.197 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.5 m -81.78 133.59 35.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.284 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 51.6 mtpt -103.52 166.31 10.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.682 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m -58.91 -32.09 69.22 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.687 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -60.51 -32.65 71.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.934 0.397 . . . . 10.0 111.504 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -78.64 -39.37 37.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.008 0.432 . . . . 10.0 110.283 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.3 -43.94 97.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.084 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.492 HD21 HD11 ' A' ' 54' ' ' ILE . 69.2 mt -62.25 -37.11 84.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.192 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 109' ' ' VAL . 32.0 tt0 -66.43 -47.56 72.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.01 94.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.362 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.38 -46.86 88.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.375 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.27 -41.33 84.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.741 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 105' ' ' GLU . 65.8 t -65.52 -43.59 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.047 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.11 -34.73 76.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.934 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -72.69 -45.15 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.038 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.476 ' O ' ' HD3' ' A' ' 114' ' ' PRO . 48.3 m-80 -73.28 -32.76 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.984 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -106.9 97.63 18.34 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.533 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 112' ' ' ASN . 12.5 Cg_exo -70.48 108.93 2.33 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.731 2.287 . . . . 10.0 112.079 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -78.7 107.71 11.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.484 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 36.3 pt -90.45 -6.98 10.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.712 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -50.6 9.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.247 0.546 . . . . 10.0 109.789 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -126.67 74.22 75.0 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.014 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -98.11 177.66 0.43 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.165 2.577 . . . . 10.0 112.836 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 85' ' ' CYS . 10.2 mp -100.1 -26.74 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.109 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.508 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 18.2 mtp180 -121.82 103.27 8.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.189 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.426 ' HB2' HG21 ' B' ' 9' ' ' THR . 89.9 mtp -65.16 -31.38 72.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.933 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 21.7 p-10 -62.87 -47.97 81.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.079 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.12 -36.97 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.392 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.8 80.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.068 0.461 . . . . 10.0 110.522 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 17.5 t70 -65.34 -45.99 82.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.03 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.651 HD11 HD23 ' A' ' 134' ' ' LEU . 42.9 tp -57.91 -44.71 86.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.893 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.22 -30.97 70.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.514 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.3 m -84.37 -30.51 25.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.239 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 61.1 mm-40 -78.51 -49.35 13.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.781 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -145.31 99.51 4.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.196 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.47 -34.41 86.05 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.888 2.392 . . . . 10.0 111.684 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -66.3 -45.29 80.9 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.546 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.651 HD23 HD11 ' A' ' 127' ' ' LEU . 17.9 tp -61.15 -40.19 92.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.988 0.423 . . . . 10.0 110.242 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.586 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 68.3 t80 -67.24 -47.98 69.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.743 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -60.13 -41.73 93.31 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.635 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -61.05 -47.08 88.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.619 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -65.0 -47.11 78.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.645 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.2 -34.55 78.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.513 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.427 ' HG3' HD11 ' A' ' 47' ' ' LEU . 44.4 tt0 -58.47 -49.09 78.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.638 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.73 -45.2 90.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.424 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -60.67 -43.11 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.86 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.9 m -64.45 -35.9 82.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 10.0 111.147 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.0 mt -87.68 1.96 52.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.329 0.585 . . . . 10.0 110.91 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -105.63 -50.17 3.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -125.95 57.64 1.37 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.312 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -127.91 150.32 18.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.781 -0.723 . . . . 10.0 111.572 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 31.3 t -83.2 151.38 4.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -61.99 132.24 52.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.761 0.315 . . . . 10.0 110.693 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 150' ' ' ARG . 19.7 ttt180 -96.74 114.1 63.94 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.921 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--O 1.246 0.92 0 C-N-CA 123.362 2.708 . . . . 10.0 111.745 179.732 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 121.121 0.486 . . . . 10.0 110.791 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -94.3 126.98 39.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.552 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -120.54 168.34 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.804 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.558 ' HE1' ' HG3' ' B' ' 64' ' ' GLU . 97.0 m-85 -121.23 131.92 54.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.741 0.305 . . . . 10.0 110.512 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.489 ' HB ' HG13 ' B' ' 13' ' ' ILE . 39.7 t -112.59 114.04 45.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -107.27 126.97 53.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.331 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.9 p -90.0 165.52 14.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.229 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.656 HD11 HG13 ' B' ' 70' ' ' VAL . 82.3 mt -64.77 -17.32 64.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.949 0.404 . . . . 10.0 111.083 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.426 HG21 ' HB2' ' A' ' 122' ' ' MET . 0.2 OUTLIER -86.14 -9.74 56.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.96 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.32 -28.06 14.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.477 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -55.84 118.75 4.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.741 0.305 . . . . 10.0 110.472 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -114.92 128.86 56.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.077 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.489 HG13 ' HB ' ' B' ' 5' ' ' VAL . 15.9 pt -121.78 157.45 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.918 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.27 151.34 21.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.097 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' B' ' 29' ' ' LYS . 30.7 tp -144.87 134.47 23.35 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.981 0.42 . . . . 10.0 111.62 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -96.24 108.15 20.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.96 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.416 HG13 ' HG ' ' B' ' 15' ' ' LEU . 6.7 m -135.55 165.82 29.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.653 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 22.3 mm-40 -110.74 159.07 33.76 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.8 -20.79 70.47 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.227 1.951 . . . . 10.0 111.732 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -95.93 11.48 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.858 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -83.22 133.14 35.02 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.328 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.2 153.18 28.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.692 -0.231 . . . . 10.0 110.804 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.645 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.2 mm -57.6 -39.3 68.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.531 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.45 -38.28 86.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 10.0 110.504 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -69.36 -35.51 75.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.285 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.46 -43.48 98.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.564 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.622 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 90.1 mttt -59.23 -40.69 86.7 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.992 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.629 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.567 ' HB3' HD11 ' B' ' 15' ' ' LEU . 92.1 mttt -69.32 -32.85 72.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.585 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.15 -43.24 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.252 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -65.96 -32.93 74.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.009 0.433 . . . . 10.0 110.787 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -61.25 -40.51 94.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.915 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.514 ' HE3' HD13 ' B' ' 15' ' ' LEU . 6.2 ptpt -85.94 -44.72 12.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.618 0.599 . . . . 10.0 112.618 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -87.28 -74.14 0.45 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.78 0.324 . . . . 10.0 111.183 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.9 -24.7 1.78 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.68 -0.771 . . . . 10.0 112.177 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.0 mt -57.61 119.19 30.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 C-N-CA 122.451 0.301 . . . . 10.0 111.063 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.0 Cg_exo -57.41 141.22 94.88 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.856 2.37 . . . . 10.0 111.766 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.622 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 50.0 Cg_exo -56.39 -24.33 51.49 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.433 2.756 . . . . 10.0 112.622 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.83 -33.06 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 10.0 110.623 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.14 6.94 47.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.269 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -95.26 124.53 39.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.904 0.383 . . . . 10.0 111.179 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.746 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 64.8 ttt180 -120.37 99.36 6.53 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.681 ' HB3' HD12 ' B' ' 50' ' ' LEU . 67.9 mt -86.67 122.82 31.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.663 0.616 . . . . 10.0 112.663 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 25.4 mm -117.76 130.67 72.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.762 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.676 ' HB3' HD21 ' B' ' 50' ' ' LEU . 84.7 t80 -141.47 125.84 17.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.509 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.82 22.01 12.08 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.469 0.48 . . . . 10.0 112.282 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.08 0.74 82.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.126 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -111.29 152.89 26.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.149 -0.315 . . . . 10.0 110.149 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.7 129.16 36.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.681 HD12 ' HB3' ' B' ' 43' ' ' LEU . 65.7 mt -76.43 117.08 17.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.191 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.47 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 30.2 tt0 -75.81 125.77 29.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.212 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.645 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.0 OUTLIER -52.48 -33.39 44.51 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 -179.083 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.44 -2.16 90.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.884 -0.674 . . . . 10.0 113.768 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.47 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 3.2 mmp_? -98.71 169.35 9.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.127 0.463 . . . . 10.0 111.197 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.79 160.86 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.099 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.437 HD12 ' O ' ' B' ' 18' ' ' GLU . 64.6 mt -61.19 -27.65 68.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.09 0.472 . . . . 10.0 111.66 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -68.33 -28.64 67.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.824 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.42 -42.42 95.98 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.412 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -92.65 10.03 32.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.887 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 56.5 43.29 26.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.655 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -78.22 119.09 26.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -106.17 -165.57 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.063 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -73.83 149.3 41.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.328 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.558 ' HG3' ' HE1' ' B' ' 4' ' ' PHE . 1.0 OUTLIER 67.36 17.51 10.16 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.19 0.811 . . . . 10.0 113.19 179.342 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -75.85 136.76 40.18 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.3 m -103.34 106.93 17.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.068 0.461 . . . . 10.0 111.35 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 67.9 mt -84.64 145.98 27.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.381 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.402 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 48.8 m-70 -101.6 120.9 41.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 41.1 tp -102.09 114.36 28.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.18 0.514 . . . . 10.0 112.329 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.746 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 44.8 t -102.61 143.77 14.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 48.0 tp -94.49 121.73 36.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.821 0.343 . . . . 10.0 111.35 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -95.24 85.63 4.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.484 . . . . 10.0 109.701 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 28.3 mt -70.29 152.92 43.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.921 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -146.5 114.91 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.786 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.86 22.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.94 -0.648 . . . . 10.0 112.389 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 95.4 m . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.903 -0.57 . . . . 99.989999999999995 110.195 179.857 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.626 ' HB1' ' HB3' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.596 0.236 . . . . 10.0 111.631 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.22 -33.6 63.22 Favored 'General case' 0 N--CA 1.461 0.078 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.8 ttm -51.37 -54.9 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.705 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -70.95 -37.41 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.028 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -56.58 -48.37 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.793 0.33 . . . . 10.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.4 t -65.31 -41.35 91.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.67 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -44.08 96.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.229 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.567 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.7 mt-10 -63.47 -48.1 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.413 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.599 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 52.9 tp -60.42 -45.53 93.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.664 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.9 -51.0 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.64 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.698 ' HA ' ' HD2' ' A' ' 15' ' ' LYS . 85.9 m-20 -69.69 -37.75 76.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.745 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 101' ' ' CYS . 51.8 mt -65.47 -29.86 70.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.395 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -75.04 -25.25 58.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.049 0.452 . . . . 10.0 110.549 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.698 ' HD2' ' HA ' ' A' ' 12' ' ' ASP . 73.2 mttt -76.74 -45.14 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.278 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -127.73 75.96 77.54 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.387 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 72.4 Cg_endo -81.45 141.57 12.64 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.505 2.137 . . . . 10.0 112.353 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 26.8 Cg_exo -64.18 148.82 91.19 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 123.026 2.484 . . . . 10.0 111.381 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 32.3 Cg_exo -60.65 -23.04 74.9 Favored 'Trans proline' 0 N--CA 1.47 0.116 0 C-N-CA 122.898 2.399 . . . . 10.0 112.637 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -94.02 6.13 49.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.5 tp -137.67 113.18 9.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 10.0 110.932 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.497 HH11 ' HB2' ' A' ' 151' ' ' PRO . 69.9 mtt180 -127.38 168.35 14.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.331 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m120 59.41 36.98 23.33 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.121 -0.491 . . . . 10.0 112.055 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.91 94.99 5.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.168 0.509 . . . . 10.0 110.274 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -124.22 157.73 34.12 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.464 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.47 160.28 25.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.005 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 29.6 t70 -70.94 145.32 50.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.968 0.413 . . . . 10.0 110.706 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -25.46 67.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.641 -0.709 . . . . 10.0 112.455 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.71 -42.17 4.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.046 0.758 . . . . 10.0 113.046 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.712 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 36.3 t-20 -124.3 125.19 43.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.031 0.444 . . . . 10.0 112.16 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.91 -14.27 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.245 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.2 mt -82.79 -1.02 50.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.236 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.461 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 43.2 t -115.39 122.46 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.613 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 44.9 m0 -106.66 146.7 30.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.816 0.341 . . . . 10.0 111.341 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -126.78 118.74 25.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.053 -1.091 . . . . 10.0 108.053 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.56 156.38 45.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.02 0.438 . . . . 10.0 111.909 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.9 mt -105.51 118.16 35.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.057 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 19.7 tp -88.43 131.63 34.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.761 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -110.65 93.98 18.23 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.706 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 3.2 Cg_exo -76.94 142.03 21.82 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.492 2.128 . . . . 10.0 110.025 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.16 -20.41 17.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.047 0.451 . . . . 10.0 111.329 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 45.2 tp60 -65.88 129.18 94.24 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.045 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 19.7 Cg_exo -67.49 143.33 62.67 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.693 2.262 . . . . 10.0 110.86 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.431 ' HG3' ' O ' ' A' ' 136' ' ' ARG . 43.5 Cg_endo -97.93 14.03 32.27 Favored 'Cis proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.676 -1.385 . . . . 10.0 111.955 -0.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -61.17 -22.08 64.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.773 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -68.07 -8.49 38.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.212 0.819 . . . . 10.0 113.212 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.534 ' HB3' HD21 ' A' ' 144' ' ' LEU . 86.0 mt -75.07 -27.51 59.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.282 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 143' ' ' THR . 7.9 mmtt -138.28 -167.6 2.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.372 -0.377 . . . . 10.0 110.767 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -131.38 156.23 45.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -124.71 133.32 53.24 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.85 0.357 . . . . 10.0 111.163 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -88.14 134.12 33.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.055 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 pp -119.9 149.85 41.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.667 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.76 118.49 33.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.488 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.756 HG23 HG12 ' A' ' 67' ' ' ILE . 37.5 mt -102.9 115.21 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -108.66 112.72 25.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.935 0.397 . . . . 10.0 111.076 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -89.63 130.0 44.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.024 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 75.3 Cg_endo -80.96 148.48 17.26 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.515 2.143 . . . . 10.0 110.82 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -58.76 -21.12 54.9 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 122.501 2.134 . . . . 10.0 112.7 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.46 12.13 13.0 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.294 -0.254 . . . . 10.0 111.654 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.626 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 36.2 t80 -59.88 139.89 90.23 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.502 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 90.1 Cg_endo -100.02 28.05 14.68 Favored 'Cis proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.193 -1.17 . . . . 10.0 113.057 0.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -73.71 -24.1 59.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -118.85 140.88 29.16 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 114.996 -1.002 . . . . 10.0 108.642 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.77 139.15 36.1 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 2.272 . . . . 10.0 113.378 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.507 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 57.0 Cg_endo -73.86 128.97 12.9 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.597 2.198 . . . . 10.0 110.678 178.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.9 mtm -80.74 118.28 22.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.923 0.392 . . . . 10.0 111.287 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.756 HG12 HG23 ' A' ' 54' ' ' ILE . 52.5 mt -116.25 121.7 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.826 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -135.74 158.86 43.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.094 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -85.15 139.89 31.35 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.271 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.26 -28.52 14.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.185 0.517 . . . . 10.0 109.839 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -89.91 156.34 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.37 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -79.41 97.81 6.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.837 0.351 . . . . 10.0 111.634 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.2 tt -108.29 115.25 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.163 0.506 . . . . 10.0 111.195 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 83.6 5.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.233 0.54 . . . . 10.0 110.263 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.42 ' CD2' ' HD2' ' A' ' 76' ' ' PRO . 20.0 t-80 -123.76 137.63 29.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.804 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.496 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 19.4 Cg_endo -60.74 -5.69 4.89 Favored 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 123.329 2.686 . . . . 10.0 113.941 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.758 HD21 ' HB3' ' A' ' 115' ' ' ASN . 17.9 m120 -121.09 18.35 11.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.935 0.398 . . . . 10.0 110.415 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.422 HG22 HG22 ' A' ' 84' ' ' ILE . 59.9 t -133.58 137.48 52.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.822 -0.627 . . . . 10.0 109.465 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -85.55 167.31 15.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.325 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.1 -29.19 67.18 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 113.232 0.826 . . . . 10.0 113.232 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.425 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -82.76 -20.65 35.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.107 0.479 . . . . 10.0 110.422 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.1 17.39 10.19 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.257 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -88.19 152.3 22.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.597 0.237 . . . . 10.0 110.458 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.422 HG22 HG22 ' A' ' 78' ' ' VAL . 19.3 pt -135.15 -174.6 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.518 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.723 ' HB2' HD11 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -138.25 101.5 4.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.72 -0.673 . . . . 99.989999999999995 109.198 178.814 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.762 ' HG ' HG22 ' A' ' 88' ' ' ILE . 10.6 tp -112.65 111.78 51.5 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 121.169 0.509 . . . . 10.0 110.737 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.77 -27.56 53.03 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.33 2.687 . . . . 10.0 113.679 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.762 HG22 ' HG ' ' A' ' 86' ' ' LEU . 14.4 tt -68.73 -23.69 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.525 HG12 ' HB3' ' A' ' 86' ' ' LEU . 24.2 pt -116.87 12.29 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.928 -0.309 . . . . 10.0 111.474 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.3 p -67.45 145.6 54.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.284 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 p -61.12 -17.68 54.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.295 0.48 . . . . 10.0 112.295 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -97.34 -7.0 32.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -142.66 39.68 1.53 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 122.236 -0.29 . . . . 10.0 111.589 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -97.94 136.69 37.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.201 0.524 . . . . 10.0 112.128 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 97' ' ' CYS . 11.8 ptpt -136.19 125.42 15.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.575 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.57 -14.85 27.8 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.644 2.896 . . . . 10.0 114.221 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -76.16 -11.82 59.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.781 0.324 . . . . 10.0 111.398 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.533 ' OG1' ' HG3' ' A' ' 95' ' ' LYS . 1.5 m -82.1 134.79 35.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.812 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.567 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 54.0 mtpt -103.34 167.62 9.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.37 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.8 m -59.87 -35.78 75.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.937 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.448 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.77 -34.89 75.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.556 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -75.87 -32.57 59.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.094 0.473 . . . . 10.0 110.361 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.39 -47.33 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.136 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.76 -29.96 71.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.451 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 10.5 tt0 -64.32 -50.25 68.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.655 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.3 75.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.666 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 111' ' ' VAL . 66.3 tp -62.91 -47.98 80.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.333 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -56.83 -35.51 68.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.898 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 105' ' ' GLU . 48.5 t -62.67 -51.95 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.831 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 110' ' ' LEU . 16.3 mt -67.61 -27.4 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 107' ' ' LEU . 54.4 t -70.26 -50.88 43.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.73 0.3 . . . . 10.0 110.419 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -77.06 -34.17 57.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.661 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 114' ' ' PRO . 24.1 mmm180 -114.56 98.46 49.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.846 -0.428 . . . . 10.0 109.846 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 113' ' ' ARG . 37.6 Cg_endo -65.72 155.21 70.32 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.604 2.202 . . . . 10.0 112.472 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.758 ' HB3' HD21 ' A' ' 77' ' ' ASN . 52.8 t-20 -100.34 119.3 38.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.755 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.8 pt -97.47 4.12 9.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 119' ' ' PRO . 9.9 mtm180 -107.22 -55.29 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.093 0.473 . . . . 10.0 109.805 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.25 74.84 15.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.157 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 117' ' ' ARG . 89.5 Cg_endo -96.37 179.01 0.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.071 2.514 . . . . 10.0 112.034 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 85' ' ' CYS . 7.8 mp -106.26 -24.37 12.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.918 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.496 ' HB2' ' HA ' ' A' ' 76' ' ' PRO . 14.0 mtp180 -124.12 106.19 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 98.2 mtp -69.23 -28.87 66.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.734 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.475 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 21.8 p-10 -65.04 -50.66 65.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.343 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 mp -71.26 -35.72 71.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.765 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.83 -48.27 79.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.916 0.389 . . . . 10.0 110.475 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.02 -38.78 89.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.291 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.573 ' HG ' ' HB2' ' A' ' 135' ' ' PHE . 53.9 tp -58.08 -48.04 81.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.947 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.4 tp -65.86 -38.08 87.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.385 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.4 m -68.52 -32.25 72.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.686 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -88.03 -52.92 5.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -136.29 98.06 11.57 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.743 0.306 . . . . 10.0 110.832 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.94 -35.7 65.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.84 2.36 . . . . 10.0 111.824 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -67.26 -43.66 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.152 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.6 tp -63.51 -41.49 98.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.573 ' HB2' ' HG ' ' A' ' 127' ' ' LEU . 81.8 t80 -65.82 -43.42 88.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.695 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 44' ' ' PRO . 44.7 ttp85 -61.28 -47.25 86.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.553 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -43.35 96.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.97 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -60.82 -47.45 86.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.737 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.05 66.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.233 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.52 -48.46 80.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.508 -0.314 . . . . 10.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 4.7 tt0 -60.92 -45.94 92.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.075 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -59.45 -45.19 92.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.388 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.55 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 16.2 m -61.82 -40.29 94.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.117 0.484 . . . . 10.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' A' ' 47' ' ' LEU . 90.2 mt -89.51 14.01 12.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.68 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 52.6 ttt180 -122.23 -50.8 2.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.979 0.418 . . . . 10.0 110.673 -179.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 71' ' ' THR . 52.1 m-85 -119.3 35.82 4.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.981 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -122.82 140.75 13.44 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.699 -0.763 . . . . 10.0 112.651 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 26.3 t -67.5 141.79 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -56.74 139.71 49.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.647 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.445 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 11.3 tpt180 -68.46 118.3 58.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.397 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.497 ' HB2' HH11 ' A' ' 22' ' ' ARG . 38.3 Cg_exo . . . . . 0 C--O 1.251 1.171 0 C-N-CA 123.003 2.469 . . . . 10.0 111.764 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.885 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.3 ptt? . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.836 0.351 . . . . 10.0 110.672 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -97.76 130.68 44.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.077 0.465 . . . . 10.0 111.75 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -121.46 164.15 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' B' ' 66' ' ' THR . 42.4 m-85 -116.89 127.64 54.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.865 0.364 . . . . 10.0 111.158 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.457 ' HB ' HG13 ' B' ' 13' ' ' ILE . 22.0 t -109.98 115.44 49.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.916 -0.772 . . . . 10.0 108.916 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -107.26 133.03 52.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.771 0.319 . . . . 10.0 111.032 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 20.5 p -89.62 -171.83 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.245 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 78.8 mt -81.07 -17.69 49.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.125 0.417 . . . . 10.0 112.125 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.412 HG21 ' H ' ' A' ' 123' ' ' ASP . 16.6 p -94.73 1.94 55.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 10.0 111.814 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.5 -15.79 61.56 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.609 -0.805 . . . . 10.0 112.759 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -60.5 113.12 2.26 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.81 -0.441 . . . . 10.0 109.81 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -110.42 121.24 44.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.839 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.457 HG13 ' HB ' ' B' ' 5' ' ' VAL . 25.2 pt -110.49 148.62 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.052 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.37 148.72 22.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.879 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' B' ' 29' ' ' LYS . 14.7 tp -144.1 127.75 17.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.957 0.408 . . . . 10.0 111.159 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -96.49 108.6 21.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.49 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.452 HG12 ' NZ ' ' B' ' 29' ' ' LYS . 16.0 m -135.92 -175.99 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.704 -178.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.454 ' HG3' ' HD2' ' B' ' 19' ' ' PRO . 0.9 OUTLIER -134.35 157.11 78.2 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 179.024 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.454 ' HD2' ' HG3' ' B' ' 18' ' ' GLU . 76.1 Cg_exo -52.6 -35.37 67.16 Favored 'Trans proline' 0 N--CA 1.474 0.339 0 C-N-CA 122.571 2.181 . . . . 10.0 113.161 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -75.1 -0.16 18.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.72 129.05 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.944 0.402 . . . . 10.0 111.416 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.49 ' HB ' ' HG3' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -77.66 145.51 36.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 mm -54.83 -38.08 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 10.0 111.793 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -61.35 -34.76 75.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.869 0.366 . . . . 10.0 110.832 178.876 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.81 -36.92 70.41 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.57 -43.08 96.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.293 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -59.7 -40.2 87.13 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.608 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.86 92.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.143 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.688 ' HB3' HD11 ' B' ' 15' ' ' LEU . 96.5 mttt -66.48 -35.6 80.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.786 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.48 -41.06 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.538 -0.541 . . . . 10.0 109.538 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.44 -30.11 68.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.339 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.59 -40.81 84.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.46 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.486 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 4.5 ptpt -93.69 -45.66 7.6 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -85.01 -63.76 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 10.0 111.378 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.64 -13.73 6.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.354 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 mt -59.75 121.35 57.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 122.306 0.242 . . . . 10.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 38.1 Cg_exo -59.37 139.58 90.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.906 2.404 . . . . 10.0 111.585 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.6 Cg_exo -54.62 -28.99 58.65 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.366 2.711 . . . . 10.0 112.986 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.83 -26.6 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.082 0.468 . . . . 10.0 110.73 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.546 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 46.1 mt-30 -101.68 9.59 40.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.074 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -99.89 109.83 22.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.655 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 28.3 ttt180 -111.29 92.08 3.9 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.426 ' HB3' HD12 ' B' ' 50' ' ' LEU . 53.0 mt -81.3 121.62 26.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.843 -0.617 . . . . 10.0 112.051 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.3 mm -116.38 125.05 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.16 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.625 ' HB3' HD21 ' B' ' 50' ' ' LEU . 87.2 t80 -139.74 131.95 28.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.266 -0.425 . . . . 10.0 109.953 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.59 31.6 21.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.516 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.51 7.19 85.29 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.801 -0.636 . . . . 10.0 113.246 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -121.84 153.55 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 10.0 111.179 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -87.41 128.13 35.21 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' B' ' 45' ' ' PHE . 65.5 mt -75.41 115.94 15.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.196 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.83 132.38 41.49 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.246 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 3.6 m-20 -52.62 -40.48 62.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.618 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.79 -4.21 85.03 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.892 -0.67 . . . . 10.0 114.648 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.492 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 0.4 OUTLIER -98.87 167.35 10.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.51 0.655 . . . . 10.0 111.475 -179.364 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -106.83 172.63 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.537 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 85.6 mt -67.29 -39.9 86.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.217 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -24.93 67.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.75 0.309 . . . . 10.0 111.572 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.492 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 66.9 m-20 -63.65 -30.69 71.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.2 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -109.23 11.78 25.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.761 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.4 t30 61.91 39.87 13.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.536 0.684 . . . . 10.0 110.927 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.537 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 56.2 mt -87.35 104.33 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.814 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -105.0 -171.23 1.88 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.953 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.885 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 16.1 pttp -70.48 161.09 31.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.491 0.186 . . . . 10.0 110.99 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 70.65 5.74 5.54 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -84.6 149.66 25.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.722 0.296 . . . . 10.0 110.617 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 7.6 m -114.39 122.16 45.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.992 0.425 . . . . 10.0 110.827 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 46.2 mt -99.24 145.38 27.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.04 -0.527 . . . . 10.0 109.931 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -99.1 119.45 37.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.4 tp -100.82 105.37 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.198 0.523 . . . . 10.0 111.597 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.655 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 57.8 t -91.84 127.18 44.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.434 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 54.5 tp -75.64 109.52 9.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.546 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 11.4 ttp85 -90.17 87.5 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.034 0.445 . . . . 10.0 110.773 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 79.6 mt -74.39 97.2 3.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.359 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -83.94 80.43 9.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.313 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.616 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . 131.99 131.26 3.21 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.966 -0.635 . . . . 10.0 111.875 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.7 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 37.0 m . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.051 -0.976 . . . . 99.989999999999995 110.168 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.563 0.209 . . . . 10.0 111.563 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -58.8 -38.11 77.83 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -47.52 72.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.362 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -69.97 -39.34 76.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.581 -0.281 . . . . 10.0 111.039 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 83.9 t -56.88 -47.66 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.993 0.425 . . . . 10.0 110.57 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.35 -42.14 92.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.55 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -42.98 94.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.727 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.33 -37.72 88.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.461 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.73 -48.75 79.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.08 -32.48 74.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.523 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.37 -47.66 78.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.489 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.816 HD21 ' HB3' ' A' ' 101' ' ' CYS . 37.4 mt -76.73 -33.97 58.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.561 -0.745 . . . . 10.0 112.595 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -69.62 -22.96 63.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.93 0.344 . . . . 10.0 111.93 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -75.97 -31.56 59.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.808 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -154.47 83.69 4.03 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.164 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 4.3 Cg_exo -77.54 147.31 25.1 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.124 2.549 . . . . 10.0 112.538 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 39.6 Cg_exo -62.25 147.89 94.19 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.756 2.304 . . . . 10.0 111.019 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 53.0 Cg_exo -57.28 -25.27 64.16 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 123.042 2.495 . . . . 10.0 113.247 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' A' ' 105' ' ' GLU . 44.0 p90 -95.91 6.07 49.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.4 tp -133.49 117.75 17.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.743 0.306 . . . . 10.0 110.938 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.437 HH22 ' C ' ' A' ' 151' ' ' PRO . 24.9 mtm180 -132.16 166.32 22.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.879 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 61.33 40.36 14.37 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.549 0.53 . . . . 10.0 111.57 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.0 tp -86.55 107.82 18.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.085 0.469 . . . . 10.0 110.81 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -146.4 157.52 43.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.42 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -79.6 162.07 25.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 13.4 t70 -66.0 150.54 48.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.095 0.474 . . . . 10.0 110.834 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.1 -27.23 68.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.584 -0.734 . . . . 10.0 111.991 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.97 -1.27 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.125 0.787 . . . . 10.0 113.125 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 20.2 t-20 -146.09 124.43 12.31 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.653 -0.419 . . . . 10.0 111.897 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.9 -16.27 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.063 0.458 . . . . 10.0 110.694 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.6 mt -86.76 1.71 51.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.168 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.0 t -123.24 109.92 24.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.635 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 47.0 m0 -98.82 147.66 24.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.024 0.44 . . . . 10.0 111.073 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -127.89 128.96 46.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.07 164.22 37.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 10.0 111.487 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.2 mt -109.16 117.78 35.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.723 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.542 ' HB2' HD23 ' A' ' 52' ' ' LEU . 33.3 tp -86.2 134.44 33.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.6 86.92 30.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.255 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.3 137.19 30.56 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.507 2.138 . . . . 10.0 110.253 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.28 -19.35 24.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.963 0.411 . . . . 10.0 111.693 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.5 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 11.7 tp60 -71.62 134.82 83.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.366 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 16.7 Cg_exo -69.12 145.9 62.4 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.526 2.151 . . . . 10.0 110.904 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 65.0 Cg_endo -96.39 13.17 39.08 Favored 'Cis proline' 0 N--CA 1.459 -0.557 0 C-N-CA 123.623 -1.407 . . . . 10.0 111.915 -0.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -65.14 -13.91 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.885 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.449 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 0.3 OUTLIER -75.11 -3.93 35.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.781 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -79.07 -35.29 42.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.968 0.358 . . . . 10.0 111.968 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 150' ' ' ARG . 26.5 mmtt -134.87 -167.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.868 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.55 160.18 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.51 127.71 46.87 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.115 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -80.75 130.32 35.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.2 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.542 HD23 ' HB2' ' A' ' 38' ' ' LEU . 3.4 pp -120.13 154.82 34.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.736 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 121.51 35.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.428 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.812 HG23 HG12 ' A' ' 67' ' ' ILE . 44.9 mt -101.65 114.32 40.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.658 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.37 114.23 28.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.814 0.34 . . . . 10.0 110.923 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.52 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 84.7 m-85 -92.01 125.78 55.64 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.89 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 56' ' ' PHE . 7.5 Cg_exo -74.89 151.6 40.29 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.78 2.32 . . . . 10.0 111.1 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.24 -17.83 59.09 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.647 2.231 . . . . 10.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.1 6.59 45.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.455 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 39.6 t80 -54.91 139.82 61.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 110.306 -0.257 . . . . 10.0 110.306 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.52 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 65.8 Cg_endo -94.92 23.91 25.65 Favored 'Cis proline' 0 C--N 1.348 0.531 0 C-N-CA 124.076 -1.218 . . . . 10.0 113.666 0.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -76.28 -15.73 59.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.583 0.706 . . . . 10.0 109.705 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.82 132.09 24.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.083 -0.962 . . . . 10.0 108.985 178.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.83 139.38 74.14 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.972 2.448 . . . . 10.0 112.855 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.45 125.96 14.78 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.858 2.372 . . . . 10.0 111.171 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.3 mtm -83.87 91.73 7.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.837 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.812 HG12 HG23 ' A' ' 54' ' ' ILE . 29.4 mt -97.98 127.24 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.121 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 6.1 ptmm? -140.42 160.31 40.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -84.47 137.09 33.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.775 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -35.57 16.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.26 165.69 13.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.494 -0.775 . . . . 10.0 109.57 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -90.43 112.19 23.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.011 0.434 . . . . 10.0 111.691 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.0 tt -113.3 116.6 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.831 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -77.53 87.84 3.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.458 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -132.23 134.95 25.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.02 -0.537 . . . . 10.0 109.916 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.542 ' HG3' HD22 ' A' ' 128' ' ' LEU . 19.1 Cg_endo -58.42 -12.59 14.09 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.326 2.684 . . . . 10.0 114.127 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -114.34 19.96 15.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.865 0.364 . . . . 10.0 110.785 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -137.15 141.48 40.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.61 171.34 8.73 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.271 -0.172 . . . . 10.0 110.547 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.17 -29.43 67.44 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.727 0.64 . . . . 10.0 112.727 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -76.89 -42.18 40.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 10.0 109.866 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.82 22.6 1.58 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.508 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -80.36 151.02 29.65 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.711 0.291 . . . . 10.0 110.671 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.414 HD12 HD13 ' A' ' 107' ' ' LEU . 1.4 pt -141.53 129.39 21.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.866 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 1.023 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 33.4 m -84.0 74.69 10.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 99.989999999999995 110.826 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.572 ' HB2' HG12 ' A' ' 89' ' ' ILE . 38.5 mt -89.49 117.18 67.94 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.219 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.51 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 40.3 Cg_exo -58.59 -29.35 88.82 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 122.603 2.202 . . . . 10.0 112.05 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.628 HD13 ' HA ' ' A' ' 103' ' ' VAL . 18.3 tt -67.55 -26.57 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.572 HG12 ' HB2' ' A' ' 86' ' ' LEU . 46.3 pt -104.56 1.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 122.155 -0.341 . . . . 10.0 111.617 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.5 p -72.28 140.48 48.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -20.41 38.13 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -87.69 -7.9 56.8 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 87' ' ' PRO . 45.2 m-80 -138.81 12.09 2.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -81.38 128.34 33.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.256 0.55 . . . . 10.0 111.972 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.512 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 4.1 mppt? -124.95 123.17 25.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.307 -0.861 . . . . 10.0 108.814 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 39.9 Cg_exo -58.66 -17.52 35.84 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.227 2.618 . . . . 10.0 113.368 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -77.44 -13.91 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.357 . . . . 10.0 111.678 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.24 137.65 35.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.794 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -98.76 162.9 12.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.5 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.6 m -58.22 -34.07 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 10.0 112.138 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.816 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.64 -31.59 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 10.0 111.604 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -79.26 -30.61 43.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.064 0.459 . . . . 10.0 110.313 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.628 ' HA ' HD13 ' A' ' 88' ' ' ILE . 51.0 t -70.08 -46.66 71.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.396 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.13 -28.59 69.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.693 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.462 ' HA ' ' OH ' ' A' ' 20' ' ' TYR . 12.0 tt0 -68.41 -44.63 74.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.952 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.24 83.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.304 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 86' ' ' LEU . 42.9 tp -62.14 -44.43 96.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.731 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -56.97 -37.32 71.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.053 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.4 t -65.33 -45.04 94.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.506 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.31 -35.48 81.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.298 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.11 -47.2 62.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.199 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -72.68 -35.85 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.817 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 113' ' ' ARG . 14.7 mmm180 -119.68 98.75 49.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.759 0.314 . . . . 10.0 110.186 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.422 ' HB3' ' HG2' ' A' ' 76' ' ' PRO . 20.8 Cg_exo -66.73 118.89 5.9 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.677 2.252 . . . . 10.0 111.944 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -70.1 103.75 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.834 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 20.5 pt -81.15 -3.74 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 10.0 112.009 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -79.68 -59.43 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -121.72 85.22 44.14 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.716 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -90.54 173.81 3.06 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.844 2.362 . . . . 10.0 111.45 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.4 mp -98.7 -24.28 15.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.076 0.465 . . . . 10.0 110.142 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 15.7 mtp180 -132.95 106.82 7.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.151 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -62.43 -30.8 71.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.583 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 13.8 p-10 -68.92 -34.93 76.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.421 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.593 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.7 mp -81.21 -40.9 23.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.522 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.48 93.7 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 27.1 t70 -60.69 -56.1 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.186 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.621 HD11 HD23 ' A' ' 134' ' ' LEU . 44.2 tp -55.95 -40.27 72.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.61 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.542 HD22 ' HG3' ' A' ' 76' ' ' PRO . 35.5 tp -62.06 -34.89 77.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.651 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 -31.07 18.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.881 0.372 . . . . 10.0 111.423 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 22.0 mm-40 -72.37 -53.12 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.03 0.443 . . . . 10.0 110.526 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -144.05 92.97 6.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.145 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.79 -32.74 97.7 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 123.011 2.474 . . . . 10.0 112.187 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 137' ' ' LYS . 41.2 tp10 -68.35 -46.94 68.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.16 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.621 HD23 HD11 ' A' ' 127' ' ' LEU . 20.9 tp -61.08 -42.72 99.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.943 0.402 . . . . 10.0 110.207 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.593 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 81.7 t80 -66.87 -41.48 87.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.951 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 48.7 ttp85 -57.75 -38.65 75.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 133' ' ' GLU . 63.1 mttm -62.12 -50.42 71.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.857 0.36 . . . . 10.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.91 -41.38 95.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.818 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.81 -34.51 76.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -63.6 -49.89 71.57 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.197 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.67 -41.77 95.74 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.808 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -42.22 91.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.877 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.3 m -64.68 -37.45 87.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.182 0.515 . . . . 10.0 110.113 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 81.3 mt -93.2 25.68 3.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.459 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -136.68 -39.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.931 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -128.76 34.96 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.554 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -119.0 150.38 17.96 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.157 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 25.8 t -81.11 143.78 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -56.67 128.69 37.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.908 0.385 . . . . 10.0 111.516 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.514 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 20.3 ttt180 -94.08 110.73 49.84 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.606 -0.725 . . . . 10.0 111.04 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.437 ' C ' HH22 ' A' ' 22' ' ' ARG . 93.7 Cg_endo . . . . . 0 C--O 1.247 0.932 0 C-N-CA 123.187 2.591 . . . . 10.0 111.111 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.625 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.0 ptt? . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.799 0.333 . . . . 10.0 110.532 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -98.88 130.29 45.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.852 0.358 . . . . 10.0 111.904 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -121.88 166.93 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.641 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' B' ' 66' ' ' THR . 97.6 m-85 -119.34 122.76 42.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.631 -0.258 . . . . 10.0 110.986 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.662 ' HB ' HG13 ' B' ' 13' ' ' ILE . 38.3 t -109.48 117.76 55.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -109.9 126.96 54.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.185 0.517 . . . . 10.0 111.417 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.8 p -92.73 166.9 12.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.111 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.5 mt -76.08 5.67 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 10.0 111.364 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.84 8.4 34.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.779 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.27 20.01 79.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.256 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -105.01 118.21 35.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.97 126.01 51.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.302 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.662 HG13 ' HB ' ' B' ' 5' ' ' VAL . 13.6 pt -121.39 140.19 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.975 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.76 143.11 26.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.945 -0.571 . . . . 10.0 109.959 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.55 145.27 49.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.842 0.354 . . . . 10.0 111.275 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -104.47 98.49 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.119 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -128.51 169.34 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.36 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' B' ' 56' ' ' LEU . 15.1 mm-40 -116.97 157.17 47.16 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -58.44 -20.83 50.73 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.696 2.264 . . . . 10.0 113.007 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.87 10.68 38.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.883 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -82.09 151.3 27.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.711 0.291 . . . . 10.0 111.107 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.448 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -93.79 148.58 21.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.484 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 50.7 mm -59.73 -38.82 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.579 -0.282 . . . . 10.0 111.494 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 1.0 OUTLIER -60.58 -34.03 73.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.332 0.587 . . . . 10.0 110.321 179.207 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -75.26 -38.79 60.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.049 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 22' ' ' THR . 92.3 t -60.92 -43.02 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.775 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 91.2 mttt -58.53 -42.13 87.1 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.484 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.27 90.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.146 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.29 -31.04 71.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.746 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.5 mt -72.14 -44.23 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -64.23 -31.44 72.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.062 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.13 -37.17 76.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.663 -0.699 . . . . 10.0 111.909 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -104.74 -34.19 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.547 0.943 . . . . 10.0 113.547 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -91.55 -33.52 15.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.06 1.22 70.21 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.571 -0.823 . . . . 10.0 112.721 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -84.14 119.84 73.84 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 122.769 -0.254 . . . . 10.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 47.0 Cg_exo -58.01 135.92 71.74 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.108 2.538 . . . . 10.0 112.565 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 65.8 Cg_exo -54.95 -29.76 65.88 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.655 2.904 . . . . 10.0 113.495 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.7 -22.8 65.25 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.235 0.541 . . . . 10.0 110.855 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.415 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 63.8 mt-30 -102.29 7.85 40.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.244 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -100.66 109.33 21.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.806 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.745 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 24.9 ttt180 -106.09 90.98 3.53 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.564 ' HB3' HD12 ' B' ' 50' ' ' LEU . 29.2 mt -79.71 121.73 25.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.605 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.1 130.9 70.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.509 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.69 ' HB3' HD21 ' B' ' 50' ' ' LEU . 81.5 t80 -143.18 127.45 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 29.2 18.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.071 0.462 . . . . 10.0 111.372 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.21 -0.07 84.9 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.953 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -112.12 158.25 19.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.902 0.351 . . . . 10.0 110.72 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -90.72 134.76 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' B' ' 45' ' ' PHE . 69.1 mt -80.49 116.61 20.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.838 0.351 . . . . 10.0 111.55 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -77.44 129.63 35.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.264 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.473 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 5.1 m-20 -49.86 -45.27 50.26 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.442 0.904 . . . . 10.0 113.442 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.27 -9.77 81.27 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 121.016 -0.612 . . . . 10.0 113.765 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -86.88 162.9 17.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.034 0.445 . . . . 10.0 111.269 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 9.1 p -108.9 166.61 10.69 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.5 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -63.54 -27.3 69.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 10.0 111.169 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -14.7 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.531 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -73.04 -38.56 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.123 0.487 . . . . 10.0 110.556 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.441 ' HB2' HG13 ' B' ' 61' ' ' ILE . 77.2 m-85 -98.48 2.9 48.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.703 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.24 44.59 7.49 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.748 0.655 . . . . 10.0 110.807 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' B' ' 59' ' ' TYR . 52.8 mt -85.24 112.87 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.576 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -94.79 -172.96 2.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.859 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.625 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 20.3 pttp -76.67 161.79 28.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 72.85 -7.41 1.47 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.2 m -65.26 140.0 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.841 0.353 . . . . 10.0 111.176 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 3.2 m -103.88 120.08 40.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.415 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 33.0 mt -99.67 150.52 22.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.261 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.58 122.18 43.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.2 tp -106.93 112.49 25.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.051 0.453 . . . . 10.0 111.998 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.745 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 26.1 t -97.28 134.64 34.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.152 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 tp -88.22 115.1 25.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.816 0.341 . . . . 10.0 111.065 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.415 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 3.4 tmm_? -91.5 123.87 35.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.919 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.88 159.07 16.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.721 0.296 . . . . 10.0 111.069 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 74' ' ' ARG . 32.6 ttp180 -147.94 75.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.597 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.15 30.35 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.96 -0.638 . . . . 10.0 112.286 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 1.023 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 3.2 m . . . . . 0 C--O 1.246 0.914 0 N-CA-C 109.324 -0.621 . . . . 99.989999999999995 109.324 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.737 0.303 . . . . 10.0 111.27 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -34.97 71.57 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.9 ttm -55.51 -45.4 77.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.594 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -71.02 -38.54 72.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.587 -0.279 . . . . 10.0 111.019 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.9 -44.66 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.08 -39.6 84.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.08 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -64.79 -46.81 80.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.631 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.32 -37.98 89.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.437 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.6 tp -66.01 -42.35 89.83 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -48.18 82.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.801 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.39 -51.33 70.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.013 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.4 mt -68.12 -24.63 65.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.919 -0.582 . . . . 10.0 112.318 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -76.71 -28.87 56.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 10.0 110.158 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -82.67 -34.39 27.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.014 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -129.21 75.66 79.93 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.002 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.16 130.15 10.95 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.546 2.164 . . . . 10.0 112.278 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HG2' ' CB ' ' A' ' 21' ' ' LEU . 36.9 Cg_endo -68.07 147.52 73.62 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.294 1.996 . . . . 10.0 111.23 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.97 -22.75 70.31 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 123.006 2.471 . . . . 10.0 113.393 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -92.59 6.89 45.62 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' CB ' ' HG2' ' A' ' 18' ' ' PRO . 12.5 tp -134.43 122.27 22.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.817 0.342 . . . . 10.0 110.56 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -124.81 161.67 25.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.895 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 53.48 45.75 27.62 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.778 0.674 . . . . 10.0 111.932 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -79.95 100.1 7.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.495 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -136.78 172.06 13.57 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.973 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.13 173.02 10.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.532 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 15.9 t70 -71.8 158.26 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -60.59 -38.71 85.55 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.97 20.36 3.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 13.6 t-20 -142.11 130.04 21.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.934 0.397 . . . . 10.0 111.239 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.22 -14.68 9.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.251 0.548 . . . . 10.0 110.324 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.24 21.34 10.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.122 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 80.8 t -137.78 129.0 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.935 -0.394 . . . . 10.0 109.935 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.684 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 32.3 m0 -105.13 150.51 24.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.046 0.45 . . . . 10.0 111.438 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -124.11 124.62 42.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.957 -1.127 . . . . 10.0 107.957 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.33 152.52 29.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.6 mt -106.97 114.6 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.454 -0.794 . . . . 10.0 109.121 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 tp -82.37 131.15 35.23 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.051 -0.352 . . . . 10.0 110.051 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mp -115.06 90.36 23.14 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.1 157.54 57.36 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.484 2.123 . . . . 10.0 110.481 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -107.0 -24.84 11.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.11 0.481 . . . . 10.0 110.665 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.434 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 55.8 tp60 -62.14 128.74 91.37 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.559 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 16.9 Cg_exo -70.54 141.59 42.45 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.053 2.502 . . . . 10.0 111.109 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 71.1 Cg_endo -99.18 17.69 26.14 Favored 'Cis proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.839 -1.317 . . . . 10.0 112.322 -0.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -60.94 -29.29 69.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 10.0 111.496 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -0.29 6.85 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.51 -13.46 54.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.752 0.31 . . . . 10.0 110.746 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 149' ' ' ASP . 20.5 mmtm -144.92 -168.39 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.764 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -132.18 151.77 51.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.667 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -124.73 120.27 31.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.79 0.328 . . . . 10.0 111.257 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -80.67 135.28 36.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.423 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -123.57 150.38 44.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.407 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 53' ' ' ARG . 24.1 ttt180 -119.41 115.36 23.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.085 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.684 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 53.5 mt -95.7 120.03 44.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.24 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -105.41 114.88 29.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.253 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -89.77 127.9 52.4 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 56.5 Cg_endo -71.24 150.67 59.61 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.375 2.05 . . . . 10.0 110.99 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.55 -16.43 53.78 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.572 2.181 . . . . 10.0 111.749 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -97.58 17.31 18.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.24 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 61' ' ' PRO . 15.0 t80 -63.34 141.67 97.82 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 60' ' ' TYR . 67.1 Cg_endo -98.01 24.3 21.69 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 124.261 -1.141 . . . . 10.0 113.061 0.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -77.08 -9.6 58.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 10.0 109.379 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.3 OUTLIER -128.8 141.46 41.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 114.761 -1.109 . . . . 10.0 109.024 179.285 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.553 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 55.5 Cg_endo -70.62 141.74 42.45 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.746 2.297 . . . . 10.0 113.086 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.51 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 74.3 Cg_endo -77.78 137.52 16.07 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.557 2.171 . . . . 10.0 111.185 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 71.7 mtm -93.58 117.72 30.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 10.0 110.874 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.647 HG12 HG23 ' A' ' 54' ' ' ILE . 45.4 mt -111.9 125.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.354 -0.384 . . . . 10.0 110.231 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 5.1 ptmm? -131.36 152.98 50.11 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -85.14 133.22 34.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.51 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.13 -13.41 28.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.709 0.766 . . . . 10.0 109.342 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 m -106.69 140.71 39.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.133 -0.94 . . . . 10.0 109.93 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -70.07 106.46 3.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.561 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.1 tt -111.79 128.67 68.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.064 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -86.99 77.99 9.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.971 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -123.53 134.23 25.11 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.219 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.633 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 27.2 Cg_endo -61.43 -15.83 43.47 Favored 'Trans proline' 0 N--CA 1.479 0.647 0 C-N-CA 123.307 2.671 . . . . 10.0 113.68 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -111.96 24.93 12.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.809 0.338 . . . . 10.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 84' ' ' ILE . 92.8 t -136.25 138.66 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -79.66 158.14 27.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.045 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.39 -31.65 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -80.78 -4.99 56.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.88 0.326 . . . . 10.0 111.88 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.86 13.57 49.58 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.527 -0.844 . . . . 10.0 111.965 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -83.47 142.41 30.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.684 HD12 HD13 ' A' ' 86' ' ' LEU . 17.3 pt -119.61 -178.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.895 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.906 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 1.3 m -137.51 92.81 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.692 -0.685 . . . . 99.989999999999995 109.383 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.684 HD13 HD12 ' A' ' 84' ' ' ILE . 4.3 mp -106.15 113.41 63.52 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.139 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.71 -28.54 76.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.901 2.401 . . . . 10.0 112.196 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.481 HG23 HG23 ' A' ' 89' ' ' ILE . 18.3 tt -66.04 -26.27 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.168 0.433 . . . . 10.0 112.168 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.481 HG23 HG23 ' A' ' 88' ' ' ILE . 38.5 pt -111.74 19.64 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 10.0 111.263 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.2 p -77.68 149.41 34.66 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -6.71 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.507 0.558 . . . . 10.0 112.507 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -111.32 -7.8 14.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.845 0.313 . . . . 10.0 111.845 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -136.04 20.76 3.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.447 0.536 . . . . 10.0 112.447 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -83.28 136.28 34.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.977 0.418 . . . . 10.0 111.61 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 95' ' ' LYS . 3.8 mppt? -123.4 123.28 26.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.53 -16.87 50.64 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.913 2.409 . . . . 10.0 113.125 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 p -84.32 -8.85 58.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -73.9 136.61 43.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.102 0.477 . . . . 10.0 111.592 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -99.22 151.73 20.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.637 -0.875 . . . . 10.0 108.637 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 m -58.05 -26.42 62.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.814 0.34 . . . . 10.0 111.763 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.06 -29.25 70.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.089 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -79.99 -36.63 35.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.99 0.424 . . . . 10.0 109.923 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 22.7 t -63.98 -45.29 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.167 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 54' ' ' ILE . 93.1 mt -61.92 -36.5 81.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.76 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.64 -49.06 70.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.257 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.84 -37.64 76.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.226 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 111' ' ' VAL . 60.8 tp -64.45 -49.37 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.746 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -56.76 -43.13 80.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.11 -44.09 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.751 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.38 -26.19 64.53 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 107' ' ' LEU . 74.7 t -75.64 -45.27 39.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.837 0.351 . . . . 10.0 110.169 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -75.12 -33.84 61.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.331 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 113' ' ' ARG . 14.2 mmm180 -116.7 98.06 51.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.09 119.18 6.19 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.742 2.295 . . . . 10.0 112.485 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.542 ' ND2' ' HB2' ' A' ' 118' ' ' GLU . 38.9 t30 -75.34 110.69 9.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.968 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.7 pt -83.07 -7.28 10.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 10.0 112.412 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -86.69 -38.4 17.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.204 0.526 . . . . 10.0 110.156 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.542 ' HB2' ' ND2' ' A' ' 115' ' ' ASN . 5.7 mp0 -119.3 81.45 22.05 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.527 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -93.41 129.35 0.71 Allowed 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.861 2.374 . . . . 10.0 112.451 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.791 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.8 mp -78.72 -24.89 44.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.507 0.67 . . . . 10.0 109.24 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.462 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 37.2 mtp180 -129.12 100.21 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.194 -0.912 . . . . 10.0 110.396 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -63.04 -26.39 68.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.913 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.462 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 16.8 p-10 -70.91 -33.47 70.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.321 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.482 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.1 mp -88.79 -44.98 10.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.921 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.37 90.18 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.987 0.422 . . . . 10.0 111.287 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.586 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 22.5 t70 -66.06 -42.79 89.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.389 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 19.1 tp -58.57 -44.32 89.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.271 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.89 -32.78 73.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.84 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.0 m -80.46 -31.67 37.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.903 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 80.4 mm-40 -70.02 -54.04 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.597 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 134' ' ' LEU . 44.6 t-20 -146.67 105.6 3.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.413 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -58.08 -43.08 51.1 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.976 2.451 . . . . 10.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -64.81 -43.6 92.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.672 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 131' ' ' ASN . 60.5 tp -59.15 -46.34 88.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.092 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.633 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 62.8 t80 -65.4 -41.34 93.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.016 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -59.3 -44.05 92.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.695 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -60.44 -49.46 77.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.716 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -65.55 -35.46 80.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.891 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.53 80.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.551 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.36 -32.68 72.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.549 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -61.26 2.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.897 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -63.15 -38.63 91.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.933 -0.576 . . . . 10.0 112.485 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.434 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 33.4 m -59.56 -48.17 82.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 30.1 mt -88.16 16.4 6.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.705 0.288 . . . . 10.0 111.36 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -122.04 -56.07 1.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.868 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -106.96 -2.22 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -85.93 153.81 27.29 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.431 -0.89 . . . . 10.0 112.371 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 18.5 t -80.39 149.93 5.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 107.848 -1.167 . . . . 10.0 107.848 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.513 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 5.0 t0 -62.55 159.83 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -86.95 117.53 68.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.092 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.983 2.455 . . . . 10.0 111.619 179.365 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -93.46 123.32 36.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.093 0.473 . . . . 10.0 111.971 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.466 HD11 HD23 ' B' ' 15' ' ' LEU . 28.8 pt -127.91 175.95 8.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -129.46 140.3 51.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.906 0.384 . . . . 10.0 111.422 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -119.69 116.02 49.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.109 -0.701 . . . . 10.0 109.109 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.425 ' HE3' ' HA2' ' B' ' 10' ' ' GLY . 68.4 tttt -102.63 128.3 49.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.487 -179.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.456 HG22 HD23 ' B' ' 69' ' ' LEU . 17.7 p -88.03 169.39 12.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.273 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.42 -31.18 70.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.929 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -26.67 61.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 10.0 111.445 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.425 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . 118.04 -10.31 13.62 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.905 -0.664 . . . . 10.0 111.598 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -65.35 106.73 1.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -97.47 111.62 23.8 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.236 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 pt -98.57 148.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.93 0.395 . . . . 10.0 111.315 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -88.31 139.6 30.33 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.391 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.6 HD21 HG13 ' B' ' 26' ' ' VAL . 28.6 tp -137.34 130.68 31.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.663 0.268 . . . . 10.0 110.602 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -113.09 98.14 6.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.163 0.506 . . . . 10.0 111.165 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -133.21 160.09 42.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.567 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -95.35 158.66 34.3 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 110.515 -0.179 . . . . 10.0 110.515 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -61.53 -17.45 54.02 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.888 2.392 . . . . 10.0 112.598 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.78 1.69 54.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.312 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -77.78 154.88 31.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.892 0.377 . . . . 10.0 111.463 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -96.64 144.72 26.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.911 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.52 -40.33 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.792 0.293 . . . . 10.0 111.792 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -36.16 81.75 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.975 0.417 . . . . 10.0 110.714 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -69.85 -36.37 75.48 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.6 HG13 HD21 ' B' ' 15' ' ' LEU . 45.9 t -62.39 -42.55 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.516 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.94 -39.34 85.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.806 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.8 -31.8 72.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.87 -36.67 62.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.622 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.45 -32.36 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -67.76 -22.44 65.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.813 -1.085 . . . . 10.0 109.811 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.72 -54.18 6.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.359 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' B' ' 33' ' ' LYS . 6.1 ptpt -73.54 -38.0 65.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.345 0.868 . . . . 10.0 113.345 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -96.32 -62.91 1.2 Allowed 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.919 -0.312 . . . . 10.0 111.359 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.93 -5.08 9.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.088 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.2 mt -70.45 124.2 90.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 C-N-CA 122.113 0.165 . . . . 10.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.0 Cg_exo -55.46 138.12 79.41 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 123.074 2.516 . . . . 10.0 111.949 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.8 Cg_exo -55.92 -31.67 82.55 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.592 2.861 . . . . 10.0 113.339 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.81 -23.77 64.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.14 0.495 . . . . 10.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -96.78 4.02 51.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.651 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.04 117.79 33.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.998 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.761 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 68.7 ttt180 -114.95 100.35 8.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.591 ' HB3' HD12 ' B' ' 50' ' ' LEU . 58.8 mt -85.96 116.52 24.24 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.284 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.48 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 12.7 mm -112.42 125.65 69.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.141 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.522 ' HB3' HD21 ' B' ' 50' ' ' LEU . 60.6 t80 -150.75 140.69 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.326 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 22.49 12.18 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.422 0.451 . . . . 10.0 111.671 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.65 86.79 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.879 -0.601 . . . . 10.0 112.207 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -125.97 168.11 14.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.857 0.36 . . . . 10.0 110.438 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -97.91 133.76 41.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.905 -0.588 . . . . 10.0 109.807 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' B' ' 43' ' ' LEU . 45.9 mt -80.85 115.76 20.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.141 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.62 ' HB3' ' HB2' ' B' ' 54' ' ' ARG . 5.1 tt0 -73.43 137.92 44.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.141 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.25 -33.34 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.821 -0.627 . . . . 10.0 112.112 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.33 12.22 69.86 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.796 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.62 ' HB2' ' HB3' ' B' ' 51' ' ' GLU . 0.0 OUTLIER -110.29 164.53 12.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 -179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 45.3 p -113.73 167.9 10.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.964 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.31 -27.47 68.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 10.0 111.437 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -27.19 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.281 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -64.11 -42.43 96.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.085 0.469 . . . . 10.0 111.325 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -91.63 3.25 55.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.172 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.38 48.08 12.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.727 -0.669 . . . . 10.0 111.149 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.8 mt -81.37 127.69 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.591 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -104.25 -176.84 3.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.945 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.466 ' HD2' ' HG3' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -71.62 153.29 42.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.865 0.364 . . . . 10.0 111.69 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.466 ' HG3' ' HD2' ' B' ' 63' ' ' LYS . 41.1 mt-10 68.51 10.67 8.01 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.397 0.888 . . . . 10.0 113.397 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.7 m -74.24 138.71 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.005 -0.368 . . . . 10.0 110.005 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -101.07 112.01 24.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.979 0.419 . . . . 10.0 111.073 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 29.4 mt -88.0 144.47 26.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.041 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.48 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 27.5 m80 -93.62 118.47 31.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.456 HD23 HG22 ' B' ' 7' ' ' THR . 42.9 tp -102.61 102.63 12.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.082 0.468 . . . . 10.0 111.396 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.761 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 44.3 t -94.46 136.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.217 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -90.75 122.47 33.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.081 0.467 . . . . 10.0 111.384 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -107.46 98.14 7.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.243 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.74 125.48 33.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.702 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -92.24 85.21 5.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.353 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.39 136.08 5.56 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.721 -0.752 . . . . 10.0 112.971 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.906 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 1.2 m . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.801 -1.095 . . . . 99.989999999999995 109.23 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.532 0.206 . . . . 10.0 111.139 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -38.72 60.28 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.09 0.774 . . . . 10.0 113.09 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 56.9 ttm -54.62 -52.64 61.61 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 111.914 0.339 . . . . 10.0 111.914 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -71.06 -36.65 72.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.991 -0.284 . . . . 10.0 111.512 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.66 -47.07 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.47 -40.41 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 10.0 110.405 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -64.05 -43.98 93.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.33 -36.8 85.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.035 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.33 -48.94 77.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.762 -0.653 . . . . 10.0 109.252 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.69 -43.46 94.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.922 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.07 -50.23 74.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.723 -0.672 . . . . 10.0 111.086 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 101' ' ' CYS . 19.9 mt -71.61 -27.69 63.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.637 -0.711 . . . . 10.0 112.808 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -77.48 -38.47 49.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.701 0.286 . . . . 10.0 111.07 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -75.0 -34.64 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.072 0.463 . . . . 10.0 109.945 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -126.28 76.67 72.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.976 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.27 129.64 3.3 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.623 2.215 . . . . 10.0 112.791 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 38.6 Cg_endo -68.76 144.77 60.71 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.286 1.991 . . . . 10.0 110.478 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 59.6 Cg_exo -52.85 -32.36 56.18 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 123.151 2.568 . . . . 10.0 113.679 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -80.5 -2.17 44.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.39 0.885 . . . . 10.0 113.39 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD22 HD13 ' A' ' 104' ' ' LEU . 15.8 tp -122.47 123.55 41.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.805 0.336 . . . . 10.0 110.659 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -126.68 159.59 33.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.918 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.443 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 3.7 t30 51.69 64.94 1.65 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.37 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 65.6 tp -97.24 106.74 19.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 m -144.58 147.93 33.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.014 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.49 162.24 29.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.116 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.656 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 17.7 t70 -62.06 138.06 58.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.11 -12.99 61.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.41 -40.78 4.03 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.656 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 47.4 t-20 -124.44 121.66 35.51 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.825 0.345 . . . . 10.0 111.599 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -67.79 -17.01 21.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 120.954 0.407 . . . . 10.0 111.826 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.73 3.97 30.89 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.871 0.367 . . . . 10.0 111.648 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 44.4 t -121.81 135.02 63.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.641 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 46.0 m0 -116.83 148.13 41.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.985 0.421 . . . . 10.0 111.405 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -125.65 122.6 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.464 -0.939 . . . . 10.0 108.464 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 23' ' ' ASN . . . -149.3 160.86 43.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.068 0.461 . . . . 10.0 111.901 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 mt -110.29 122.63 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.979 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -95.13 132.92 39.52 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.67 96.34 36.6 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.015 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -68.09 157.32 62.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 10.0 110.879 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -109.33 -28.11 9.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.657 0.265 . . . . 10.0 111.674 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -65.49 133.0 95.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.598 -0.273 . . . . 10.0 110.752 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.25 143.29 48.06 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.314 2.01 . . . . 10.0 111.014 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -98.61 23.55 21.88 Favored 'Cis proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.992 -1.253 . . . . 10.0 112.192 -0.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -64.73 -20.81 66.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 10.0 111.28 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.499 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 1.6 p-80 -78.85 10.14 3.62 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.659 0.614 . . . . 10.0 112.659 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.32 -31.03 25.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.626 0.25 . . . . 10.0 110.84 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 49.1 mmtt -140.83 -164.34 1.72 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.549 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.14 156.49 42.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.407 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -122.85 138.79 54.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.534 -0.303 . . . . 10.0 110.542 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -94.35 134.22 37.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.741 0.305 . . . . 10.0 110.788 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 pp -119.66 154.15 34.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.027 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -121.66 115.82 23.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.641 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 42.3 mt -100.27 121.63 51.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -115.35 116.8 28.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.803 0.335 . . . . 10.0 110.773 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -92.98 135.46 25.89 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.669 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 96.7 Cg_endo -83.56 155.32 13.94 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.414 2.076 . . . . 10.0 110.744 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.61 -15.28 48.77 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.429 2.086 . . . . 10.0 112.03 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -92.32 13.87 18.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.405 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 16.8 t80 -65.77 142.84 98.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.573 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 69.1 Cg_endo -96.08 22.21 27.6 Favored 'Cis proline' 0 C--N 1.35 0.639 0 C-N-CA 124.119 -1.2 . . . . 10.0 113.323 0.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -75.87 -21.23 57.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -116.1 139.28 24.92 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.291 -0.868 . . . . 10.0 109.336 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.41 141.2 38.22 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.431 2.087 . . . . 10.0 112.345 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 63.0 Cg_endo -76.25 136.13 17.6 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.518 2.145 . . . . 10.0 111.153 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 50.1 ttm -84.74 117.37 23.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.637 HG12 HG23 ' A' ' 54' ' ' ILE . 53.1 mt -115.53 128.15 72.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 11.3 ptmm? -144.68 169.63 17.63 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -92.68 138.83 31.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.676 0.274 . . . . 10.0 110.531 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.99 -22.09 23.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.481 0.657 . . . . 10.0 109.684 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.33 169.2 8.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.124 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -86.15 126.83 34.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.782 0.325 . . . . 10.0 111.182 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.42 HG12 ' HB2' ' A' ' 75' ' ' HIS . 6.8 tt -127.53 119.13 51.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.58 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -73.4 82.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.226 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.529 ' HB3' HG23 ' A' ' 78' ' ' VAL . 29.8 t60 -132.46 136.2 27.56 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.757 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.694 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 36.7 Cg_endo -65.82 -0.87 4.29 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.954 2.436 . . . . 10.0 113.703 -179.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -119.23 15.31 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.044 0.45 . . . . 10.0 110.401 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 84' ' ' ILE . 21.7 t -133.65 148.54 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.412 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -98.46 171.12 8.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.979 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.62 -6.31 14.87 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.521 0.934 . . . . 10.0 113.521 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.455 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 47.6 m-80 -102.43 -7.36 22.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.25 0.547 . . . . 10.0 110.148 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.85 18.39 44.25 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.648 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.408 ' HB2' ' OD1' ' A' ' 79' ' ' ASP . 4.9 mm100 -86.33 142.48 28.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.915 0.388 . . . . 10.0 110.887 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.539 HG22 HG22 ' A' ' 78' ' ' VAL . 24.3 pt -133.92 176.35 9.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.822 -0.627 . . . . 10.0 109.376 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 86.4 m -142.47 91.13 2.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.085 0.469 . . . . 99.989999999999995 109.961 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.577 ' HB2' HG12 ' A' ' 89' ' ' ILE . 81.8 mt -90.48 116.0 65.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.344 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.05 -26.34 68.21 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.781 2.321 . . . . 10.0 112.292 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 103' ' ' VAL . 20.9 tt -66.88 -26.65 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-N 115.995 -0.548 . . . . 10.0 112.246 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.577 HG12 ' HB2' ' A' ' 86' ' ' LEU . 23.0 pt -115.34 16.03 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.4 p -67.19 149.97 49.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 0.53 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -121.2 2.01 10.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.881 -0.145 . . . . 10.0 111.327 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -137.94 3.01 2.42 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -65.47 139.36 58.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.434 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 70.5 mttt -131.36 127.06 21.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.59 -21.7 69.8 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.726 2.284 . . . . 10.0 113.007 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.76 -9.25 59.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 10.0 111.881 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -83.46 130.51 35.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.684 0.278 . . . . 10.0 110.514 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -98.28 163.37 12.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.333 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.4 m -59.72 -34.85 73.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.746 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.661 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -60.15 -37.45 80.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.874 0.369 . . . . 10.0 111.317 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -70.66 -36.99 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.337 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.433 ' HA ' HD13 ' A' ' 88' ' ' ILE . 40.7 t -67.94 -41.57 84.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.547 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.481 HD13 HD22 ' A' ' 21' ' ' LEU . 88.8 mt -61.17 -37.95 84.75 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.914 179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 25.1 tt0 -66.09 -43.83 86.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.3 98.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.109 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 111' ' ' VAL . 55.4 tp -61.5 -47.42 85.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.486 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.21 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.817 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 105' ' ' GLU . 71.8 t -67.34 -47.77 80.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.381 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.8 mt -64.94 -27.25 68.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.368 . . . . 10.0 111.859 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 107' ' ' LEU . 53.6 t -73.86 -47.3 43.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.144 -0.317 . . . . 10.0 110.144 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -72.44 -33.87 67.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -119.78 90.51 43.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.178 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.19 122.86 10.97 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.036 2.491 . . . . 10.0 112.47 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -73.28 106.35 5.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.309 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.513 ' H ' HG13 ' A' ' 116' ' ' ILE . 1.7 pp -82.94 -13.75 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.034 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.459 ' HB2' ' OE1' ' A' ' 118' ' ' GLU . 15.0 mtp-105 -68.49 -60.63 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.459 ' OE1' ' HB2' ' A' ' 117' ' ' ARG . 2.1 mp0 -124.8 82.06 60.82 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.94 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -93.17 168.21 2.36 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.985 2.457 . . . . 10.0 111.88 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.23 -21.43 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.297 0.57 . . . . 10.0 109.615 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.522 ' HD3' HD22 ' A' ' 124' ' ' LEU . 19.9 mtp180 -128.07 96.63 4.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.563 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -62.2 -28.56 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 23.4 p-10 -66.93 -47.03 72.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.98 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.522 HD22 ' HD3' ' A' ' 121' ' ' ARG . 5.5 mp -73.46 -36.13 65.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.98 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.6 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.03 -40.23 95.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 10.0 110.546 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.525 HD11 HD23 ' A' ' 134' ' ' LEU . 48.6 tp -60.7 -41.12 94.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.501 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.04 -27.11 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.839 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 m -84.19 -32.09 24.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.089 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -75.32 -54.34 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.372 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -149.42 99.53 3.39 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.863 0.363 . . . . 10.0 110.926 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.9 -35.2 98.35 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.163 2.575 . . . . 10.0 112.719 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.571 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 28.2 tp10 -63.47 -47.59 81.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.537 0.208 . . . . 10.0 111.064 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.525 HD23 HD11 ' A' ' 127' ' ' LEU . 31.9 tp -59.4 -42.82 92.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.027 0.442 . . . . 10.0 110.291 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.694 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 69.4 t80 -66.04 -40.81 91.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.579 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -61.31 -39.41 90.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.552 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.571 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 66.4 mttm -62.0 -47.5 84.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.969 0.414 . . . . 10.0 110.331 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -63.42 -45.5 90.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.556 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.63 78.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.39 -49.83 75.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.72 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.98 -45.61 84.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.854 -0.338 . . . . 10.0 110.704 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -57.33 -45.01 84.71 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.247 0.342 . . . . 10.0 111.765 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.418 HG22 ' HB2' ' A' ' 48' ' ' LYS . 23.2 m -63.74 -35.94 82.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.123 0.487 . . . . 10.0 110.824 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.42 19.44 9.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.077 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -130.56 -41.94 1.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.312 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -117.53 12.37 14.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.749 0.309 . . . . 10.0 111.288 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -101.22 152.76 18.95 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.586 -0.816 . . . . 10.0 112.352 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.84 161.5 2.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.715 -0.846 . . . . 10.0 108.715 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.458 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 19.2 t0 -59.28 147.55 35.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 10.0 111.491 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.499 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 23.1 ttt180 -108.62 111.87 60.93 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.885 -178.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 C--O 1.248 0.994 0 C-N-CA 122.79 2.327 . . . . 10.0 112.317 179.845 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.751 0.31 . . . . 10.0 110.524 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' B' ' 2' ' ' GLN . 6.1 tt0 -97.35 126.36 42.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.907 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.4 pt -123.14 160.59 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.084 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -122.19 118.54 28.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.936 0.398 . . . . 10.0 110.934 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.3 t -103.99 117.11 48.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -102.51 127.88 49.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.075 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.506 HG22 HD23 ' B' ' 69' ' ' LEU . 32.5 p -89.4 166.31 13.8 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.723 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.423 HD11 HG13 ' B' ' 70' ' ' VAL . 86.4 mt -63.04 -23.74 67.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 10.0 110.668 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -6.96 52.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.296 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.74 -31.16 8.47 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.285 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -56.79 117.57 4.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.965 0.412 . . . . 10.0 111.484 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -103.27 122.88 45.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.6 pt -103.26 152.56 5.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.067 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -102.09 130.3 48.64 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.558 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 tp -133.01 145.95 51.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.855 0.36 . . . . 10.0 110.82 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -109.88 106.18 15.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.068 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.828 HG12 ' HE3' ' B' ' 29' ' ' LYS . 18.7 m -128.81 167.42 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.188 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.484 ' O ' HD12 ' B' ' 56' ' ' LEU . 19.4 mm-40 -116.89 158.39 44.01 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.21 -16.19 38.93 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.433 2.089 . . . . 10.0 111.595 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -88.79 -3.83 58.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.6 OUTLIER -77.05 130.14 37.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.831 0.348 . . . . 10.0 111.4 -179.489 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.24 151.37 26.86 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.2 mm -55.41 -41.63 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.777 0.322 . . . . 10.0 111.397 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.75 -32.94 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.174 0.511 . . . . 10.0 110.413 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -74.46 -36.82 63.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.96 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.37 -41.49 92.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.876 -0.602 . . . . 10.0 109.654 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -58.5 -41.34 85.13 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.887 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.35 97.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.729 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.828 ' HE3' HG12 ' B' ' 17' ' ' VAL . 15.4 mtmm -65.28 -33.77 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.229 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.18 -40.27 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -70.9 -29.19 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.197 0.522 . . . . 10.0 109.829 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.12 -42.72 99.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.328 -0.851 . . . . 10.0 111.733 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.609 ' HD3' ' HG2' ' B' ' 34' ' ' GLU . 0.0 OUTLIER -95.95 -52.3 4.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.1 0.778 . . . . 10.0 113.1 -179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.609 ' HG2' ' HD3' ' B' ' 33' ' ' LYS . 18.3 mm-40 -75.49 -59.32 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 10.0 111.569 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.29 -6.56 10.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.645 -0.788 . . . . 10.0 112.503 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -68.84 121.81 82.74 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.571 -0.159 . . . . 10.0 110.571 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 36.8 Cg_exo -62.56 138.09 68.18 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.917 2.411 . . . . 10.0 111.876 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.6 Cg_exo -55.84 -25.96 55.0 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.378 2.719 . . . . 10.0 113.163 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -68.3 -18.43 64.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.18 0.514 . . . . 10.0 110.64 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -112.13 8.71 20.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.785 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -97.72 105.48 17.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.308 -0.406 . . . . 10.0 112.073 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.531 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 48.0 ttt180 -110.46 93.77 4.66 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 177.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.479 ' HB3' HD12 ' B' ' 50' ' ' LEU . 54.1 mt -84.3 124.65 31.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.84 -0.618 . . . . 10.0 112.349 -178.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 34.3 mm -116.68 130.98 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.552 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -136.89 117.28 13.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.492 -0.322 . . . . 10.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.0 26.61 16.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.976 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.86 82.32 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.663 -0.78 . . . . 10.0 112.869 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -104.44 145.99 29.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.723 0.261 . . . . 10.0 110.724 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -88.67 127.83 35.59 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' B' ' 43' ' ' LEU . 48.4 mt -75.26 110.06 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.78 0.324 . . . . 10.0 110.998 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.9 131.72 40.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.261 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -48.94 -40.81 31.65 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.499 0.926 . . . . 10.0 113.499 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.1 9.27 67.01 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 114.932 0.733 . . . . 10.0 114.932 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.415 ' O ' HG12 ' B' ' 23' ' ' ILE . 4.0 mmp_? -103.85 163.36 12.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.582 0.691 . . . . 10.0 111.237 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.39 166.51 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.484 HD12 ' O ' ' B' ' 18' ' ' GLU . 91.2 mt -66.04 -28.71 69.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.989 0.423 . . . . 10.0 110.844 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -29.05 67.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.688 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.21 -43.04 92.29 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.129 0.49 . . . . 10.0 111.272 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.75 7.91 39.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.418 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 66.2 t30 58.04 44.82 18.85 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.536 0.684 . . . . 10.0 111.136 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -82.01 128.35 38.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.49 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.42 -165.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.329 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 151.21 35.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.011 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 68.49 19.08 8.86 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.777 -0.647 . . . . 10.0 112.317 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -78.56 130.97 36.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.43 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -93.72 114.69 27.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.089 0.471 . . . . 10.0 110.832 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 72.0 mt -98.33 143.47 28.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -103.01 116.49 32.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.68 0.276 . . . . 10.0 110.257 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.506 HD23 HG22 ' B' ' 7' ' ' THR . 52.8 tp -97.24 106.41 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.159 0.504 . . . . 10.0 111.376 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.531 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 45.1 t -93.32 118.07 38.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.718 -0.673 . . . . 10.0 109.279 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.31 113.68 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.298 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -98.02 105.5 17.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.337 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 tp -85.78 127.81 34.64 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 74' ' ' ARG . 17.7 ttp180 -107.76 98.75 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.935 -179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.95 85.81 1.24 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.748 -0.739 . . . . 10.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.18 -0.914 . . . . 99.989999999999995 110.169 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.703 0.287 . . . . 10.0 111.532 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -35.76 65.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.182 0.808 . . . . 10.0 113.182 -178.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mmm -56.48 -31.84 64.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.87 0.366 . . . . 10.0 111.977 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.513 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 12.2 ttt180 -91.56 -36.21 13.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.842 0.353 . . . . 10.0 110.173 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.6 t -57.98 -48.27 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.236 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.66 -38.54 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.948 0.404 . . . . 10.0 110.175 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -65.2 -51.04 63.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.876 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -62.66 -37.53 86.73 Favored 'General case' 0 N--CA 1.46 0.059 0 CA-C-O 120.487 0.185 . . . . 10.0 111.032 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.43 -55.7 25.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.167 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.547 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 14.6 tt0 -59.21 -36.82 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.301 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 1.1 t70 -64.54 -49.05 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.869 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.48 -24.76 64.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.71 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -73.97 -22.88 59.46 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.066 0.46 . . . . 10.0 110.39 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.547 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 78.1 mttt -78.25 -40.94 35.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.736 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.46 80.28 70.63 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.669 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.16 142.57 15.33 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.476 2.117 . . . . 10.0 112.4 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.831 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 37.1 Cg_endo -68.94 145.78 63.09 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.283 1.989 . . . . 10.0 111.182 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 27.8 Cg_exo -62.49 -0.97 2.17 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 123.262 2.641 . . . . 10.0 114.056 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -121.13 8.28 10.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.779 0.288 . . . . 10.0 111.779 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.831 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 17.6 tp -145.8 111.88 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.796 0.331 . . . . 10.0 110.561 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -128.51 173.25 10.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.316 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 m120 65.15 27.49 12.34 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.616 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.3 tp -67.94 105.28 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.19 0.519 . . . . 10.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.39 161.4 36.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.806 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.41 173.39 9.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.669 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 5.0 t70 -71.86 171.9 10.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -87.68 -24.1 23.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.948 0.404 . . . . 10.0 111.326 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.03 4.59 10.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -153.04 138.19 17.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.821 0.343 . . . . 10.0 111.132 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.47 -11.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.144 0.497 . . . . 10.0 110.5 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.01 5.18 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.452 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.669 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 45.6 t -120.17 115.81 48.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.765 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 44.6 m0 -97.95 141.8 30.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.398 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -125.76 121.59 33.79 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.411 -0.959 . . . . 10.0 108.411 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.54 165.79 32.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.936 0.398 . . . . 10.0 111.599 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.8 mt -111.83 120.25 41.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.11 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.7 tp -91.74 135.59 33.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.843 HD21 ' HD2' ' A' ' 151' ' ' PRO . 4.8 mp -122.26 93.93 48.22 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.24 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.39 150.91 59.15 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.615 2.21 . . . . 10.0 110.84 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.05 -29.4 13.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.834 0.35 . . . . 10.0 110.969 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.494 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 2.1 tp-100 -60.55 131.9 90.88 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.158 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 13.9 Cg_exo -70.32 144.75 51.93 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.824 2.349 . . . . 10.0 111.007 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -99.02 23.53 21.27 Favored 'Cis proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.926 -1.281 . . . . 10.0 111.908 -0.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -68.87 -13.0 62.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.037 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.537 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 1.4 p-80 -82.16 9.86 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.94 -33.65 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.855 0.359 . . . . 10.0 111.025 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 56.4 mmtt -135.53 -173.26 3.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.513 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.39 156.32 32.91 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.957 -0.386 . . . . 10.0 109.957 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -121.72 128.19 51.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.719 0.295 . . . . 10.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -85.23 130.53 34.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 pp -118.11 154.96 31.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.79 116.79 25.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.244 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.765 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 50.8 mt -102.14 114.27 41.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.67 115.51 30.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.089 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -92.23 124.93 58.25 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.713 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.74 153.42 33.72 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.312 2.008 . . . . 10.0 110.901 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.57 -15.46 50.1 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.526 2.151 . . . . 10.0 111.909 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.636 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.3 mp0 -94.52 18.38 11.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.11 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.482 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 27.2 t80 -68.68 143.8 95.42 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.482 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 60.2 Cg_endo -95.85 17.02 36.44 Favored 'Cis proline' 0 C--N 1.349 0.596 0 C-N-CA 124.097 -1.21 . . . . 10.0 113.101 0.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -68.57 -29.66 68.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.715 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -107.4 133.79 20.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.01 -0.995 . . . . 10.0 109.125 178.868 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.715 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 36.7 Cg_endo -66.33 145.82 78.86 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.756 2.304 . . . . 10.0 112.719 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.43 139.14 22.87 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.712 2.275 . . . . 10.0 111.882 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 49.8 mtm -89.94 106.97 18.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.288 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.652 HG12 HG23 ' A' ' 54' ' ' ILE . 47.4 mt -111.55 131.95 61.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.309 . . . . 10.0 110.67 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 9.7 ptmm? -144.17 162.18 36.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -96.42 134.74 39.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.677 0.275 . . . . 10.0 110.611 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 m -86.51 -35.21 19.71 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 m -82.75 139.26 33.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.07 -0.968 . . . . 10.0 110.754 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -70.52 106.95 3.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.456 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 75' ' ' HIS . 7.2 tt -110.15 121.51 63.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.056 0.455 . . . . 10.0 111.239 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -77.64 78.0 4.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.21 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.475 ' HB2' HG12 ' A' ' 73' ' ' ILE . 36.4 t60 -127.14 134.35 26.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.795 -179.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.608 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 21.5 Cg_endo -60.23 -16.24 39.36 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 123.212 2.608 . . . . 10.0 114.057 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -107.0 18.7 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.767 0.318 . . . . 10.0 111.213 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' A' ' 75' ' ' HIS . 24.9 t -135.71 142.93 37.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -89.5 168.55 12.09 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -60.13 -24.16 64.46 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.466 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 58.2 t30 -84.92 -24.17 28.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.2 0.524 . . . . 10.0 110.885 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.69 17.02 9.45 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.574 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -81.3 142.04 33.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.428 HG22 HG22 ' A' ' 78' ' ' VAL . 7.3 pt -132.03 144.57 36.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.146 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.433 ' HB2' HD11 ' A' ' 120' ' ' LEU . 50.7 m -107.61 95.64 5.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 99.989999999999995 110.18 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.721 ' HG ' HG22 ' A' ' 88' ' ' ILE . 16.4 tp -100.47 112.19 63.99 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.138 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.77 -33.23 79.95 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.435 2.757 . . . . 10.0 114.055 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.721 HG22 ' HG ' ' A' ' 86' ' ' LEU . 12.5 tt -66.26 -20.42 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.271 0.471 . . . . 10.0 112.271 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.541 HG12 ' HB3' ' A' ' 86' ' ' LEU . 29.2 pt -120.98 25.61 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.283 0.563 . . . . 10.0 110.648 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 84.2 p -77.3 155.49 32.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.516 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -72.09 -1.43 14.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.963 0.411 . . . . 10.0 112.053 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -117.7 -4.63 11.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.82 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -149.13 53.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.096 0.474 . . . . 10.0 110.886 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -119.27 137.15 53.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.917 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -124.82 128.9 24.77 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.903 179.181 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 25.6 Cg_exo -64.39 -10.41 23.85 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.054 2.503 . . . . 10.0 113.167 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -87.48 1.44 53.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.126 0.488 . . . . 10.0 111.28 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.6 m -85.57 135.47 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.117 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 7.5 mtpm? -90.6 156.25 18.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.343 -0.389 . . . . 10.0 109.972 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.5 m -61.16 -30.26 70.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.999 0.428 . . . . 10.0 111.32 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -35.84 80.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.658 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -68.05 -37.88 81.84 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.313 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.12 -45.07 99.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.91 -0.587 . . . . 10.0 109.918 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.48 -37.69 87.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.51 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 109' ' ' VAL . 27.6 tt0 -63.07 -51.57 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.161 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.83 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.059 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 111' ' ' VAL . 64.2 tp -62.27 -47.33 84.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.479 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -56.85 -35.02 68.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.999 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 105' ' ' GLU . 98.0 t -63.46 -49.07 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.374 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 110' ' ' LEU . 18.1 mt -69.05 -25.11 64.3 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 107' ' ' LEU . 78.0 t -71.99 -47.28 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.913 0.387 . . . . 10.0 110.358 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -79.48 -26.87 41.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.14 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -115.48 93.72 37.47 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.12 113.26 2.77 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.576 2.184 . . . . 10.0 111.985 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -75.21 102.52 5.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.42 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 pt -81.84 -7.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.865 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.455 ' HB2' ' OE1' ' A' ' 118' ' ' GLU . 5.2 mtp-105 -80.14 -53.28 6.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.455 ' OE1' ' HB2' ' A' ' 117' ' ' ARG . 1.7 mp0 -123.3 79.4 53.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.858 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -98.89 -177.17 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.108 2.539 . . . . 10.0 112.052 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.4 mp -103.33 -35.17 8.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.221 0.534 . . . . 10.0 109.584 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.409 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 16.8 mtp85 -119.34 104.23 10.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.895 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -61.76 -36.83 82.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.482 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.409 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 34.0 p-10 -60.22 -45.06 94.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.389 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.8 mp -71.01 -41.81 70.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.856 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.71 -49.59 74.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.469 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.16 -37.65 86.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.928 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.629 HD11 HD23 ' A' ' 134' ' ' LEU . 36.1 tp -59.63 -41.18 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.431 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.99 -30.41 70.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.902 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.79 -42.29 28.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.15 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -67.65 -60.21 2.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.721 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -139.56 99.43 7.77 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 120.777 0.322 . . . . 10.0 111.01 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.22 -29.62 90.87 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.029 2.486 . . . . 10.0 112.646 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -69.8 -48.73 58.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.833 -0.167 . . . . 10.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.629 HD23 HD11 ' A' ' 127' ' ' LEU . 31.2 tp -57.85 -44.08 86.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.905 0.383 . . . . 10.0 110.59 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.608 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 83.8 t80 -64.99 -44.92 87.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.073 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -59.69 -42.65 93.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -63.2 -43.73 97.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -66.26 -47.13 74.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.071 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.47 91.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -57.18 -51.76 68.04 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.541 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -59.46 -43.5 93.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.181 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -63.79 -40.82 97.58 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.091 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 48' ' ' LYS . 28.2 m -62.88 -40.95 99.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.931 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.6 mt -87.89 17.4 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.179 0.514 . . . . 10.0 110.816 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -116.26 -59.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.851 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.49 -15.19 14.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.845 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -63.45 145.63 50.02 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.185 -0.531 . . . . 10.0 113.705 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 17.0 t -77.69 149.1 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.208 -1.034 . . . . 10.0 108.208 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.462 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 15.3 t0 -57.8 144.64 37.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.63 0.252 . . . . 10.0 111.379 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.537 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 11.2 tpt180 -74.84 111.56 13.83 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.147 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.843 ' HD2' HD21 ' A' ' 39' ' ' LEU . 17.3 Cg_exo . . . . . 0 C--O 1.251 1.137 0 C-N-CA 122.948 2.432 . . . . 10.0 111.62 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.608 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.0 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.829 0.347 . . . . 10.0 110.771 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.11 126.57 47.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.663 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.452 HG13 ' HB3' ' B' ' 15' ' ' LEU . 27.3 pt -127.06 169.64 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.435 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -122.25 137.3 54.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.863 0.363 . . . . 10.0 111.256 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -116.78 119.86 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -108.83 135.45 50.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.843 0.354 . . . . 10.0 111.209 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -100.63 -177.73 3.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.062 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.76 -13.47 60.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 10.0 112.164 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.1 p -93.77 -7.61 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.897 0.38 . . . . 10.0 110.702 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.91 -11.62 62.42 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.431 -0.668 . . . . 10.0 111.431 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -63.74 111.73 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -109.6 120.21 41.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.408 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 18.6 pt -110.58 159.07 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.944 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 142.76 26.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.452 ' HB3' HG13 ' B' ' 3' ' ' ILE . 13.9 tp -130.95 133.56 45.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.053 0.454 . . . . 10.0 111.956 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.84 103.91 15.91 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.411 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' B' ' 1' ' ' MET . 9.5 m -138.14 172.73 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.914 0.388 . . . . 10.0 111.049 -178.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' B' ' 56' ' ' LEU . 71.4 mm-40 -125.49 159.29 61.13 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -58.21 -27.46 80.58 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.144 1.896 . . . . 10.0 111.525 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.84 4.29 37.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.902 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -81.31 138.68 35.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.842 0.353 . . . . 10.0 111.059 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.62 150.62 22.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.127 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.726 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 51.4 mm -57.96 -33.61 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.669 0.271 . . . . 10.0 111.475 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.76 -36.04 81.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.937 0.398 . . . . 10.0 110.586 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -77.82 -32.01 51.98 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.39 -46.59 96.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.123 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -62.22 -38.34 88.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.281 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.44 95.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.558 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.89 -37.41 84.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.838 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.69 -39.61 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.35 -28.06 69.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.68 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.56 -47.7 53.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.097 -0.501 . . . . 10.0 112.082 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -83.34 -49.76 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.755 1.02 . . . . 10.0 113.755 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.04 -45.51 18.21 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.49 27.18 9.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.376 -0.916 . . . . 10.0 111.803 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -101.84 123.36 44.13 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -54.31 133.24 54.99 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.897 2.398 . . . . 10.0 112.232 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.09 -27.83 75.97 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.252 2.634 . . . . 10.0 112.959 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.38 -30.85 71.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.365 0.603 . . . . 10.0 110.777 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.456 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 43.6 mt-30 -95.38 6.26 49.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.174 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -96.15 99.39 11.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 10.0 112.0 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.64 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 53.5 ttt180 -98.24 87.7 3.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.652 ' HB3' HD12 ' B' ' 50' ' ' LEU . 37.3 mt -74.91 119.98 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.8 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.439 ' CD1' ' HG2' ' B' ' 49' ' ' GLN . 29.5 mm -118.73 131.53 71.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.102 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.637 ' HB3' HD21 ' B' ' 50' ' ' LEU . 85.4 t80 -138.6 127.49 23.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.987 -0.375 . . . . 10.0 109.987 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.4 27.51 15.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.538 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.44 7.03 88.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.056 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -116.61 150.27 38.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.718 -0.284 . . . . 10.0 110.502 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.439 ' HG2' ' CD1' ' B' ' 44' ' ' ILE . 22.5 mt-30 -84.01 141.98 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' B' ' 43' ' ' LEU . 45.8 mt -96.02 113.25 24.84 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.737 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.619 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 12.2 tt0 -78.93 132.33 36.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.308 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.726 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 14.8 m-20 -52.54 -33.37 45.16 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.704 0.631 . . . . 10.0 112.704 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.432 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -75.14 -18.79 80.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.945 -0.645 . . . . 10.0 113.154 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.619 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 5.1 mmp_? -85.84 162.52 18.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.254 0.55 . . . . 10.0 111.139 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 5.8 p -107.27 167.55 9.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.373 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.7 mt -63.32 -34.1 76.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.719 0.295 . . . . 10.0 110.954 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.7 p -67.89 -27.01 66.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.146 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' B' ' 55' ' ' THR . 31.0 m-20 -61.32 -40.83 95.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.651 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.405 ' HB2' HG13 ' B' ' 61' ' ' ILE . 95.0 m-85 -94.48 0.76 55.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.494 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 50.0 t30 65.88 40.83 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.393 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.405 HG13 ' HB2' ' B' ' 59' ' ' TYR . 46.7 mt -87.36 119.3 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.722 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -108.86 -169.43 1.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.666 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.608 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 15.6 pttp -70.82 161.9 30.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.78 0.324 . . . . 10.0 111.378 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.45 18.3 11.27 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.904 0.705 . . . . 10.0 112.904 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -92.78 150.22 20.78 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.9 m -112.2 117.06 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.896 0.379 . . . . 10.0 111.493 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 55.5 mt -95.73 147.38 23.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -103.44 123.02 46.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.655 0.264 . . . . 10.0 110.479 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 34.9 tp -102.47 102.91 13.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.207 0.527 . . . . 10.0 111.561 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.64 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 64.6 t -90.74 127.2 43.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.84 125.67 31.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.164 0.507 . . . . 10.0 111.889 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 11.3 ttp180 -98.44 112.53 24.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.813 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mp -88.42 92.79 9.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.084 0.469 . . . . 10.0 111.682 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 74' ' ' ARG . 0.7 OUTLIER -81.88 109.23 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.94 179.508 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.78 60.58 0.22 Allowed Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.178 -0.769 . . . . 10.0 111.178 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.037 0 CA-C-O 117.965 -1.017 . . . . 99.989999999999995 109.523 -179.22 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.396 0.141 . . . . 10.0 111.372 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.45 -37.7 62.86 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.092 0.775 . . . . 10.0 113.092 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -55.05 -51.63 65.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.81 0.338 . . . . 10.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -68.13 -37.88 81.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.694 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.8 t -57.47 -46.64 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.94 -39.49 85.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 121.053 0.454 . . . . 10.0 110.269 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -64.02 -42.6 97.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.319 179.638 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 38.1 mt-10 -70.38 -34.22 72.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.0 0.428 . . . . 10.0 110.652 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.74 -52.98 61.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.583 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.75 -9.33 58.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.157 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 1.1 t70 -80.2 -55.29 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.44 HD21 ' HB3' ' A' ' 101' ' ' CYS . 84.6 mt -75.77 -17.63 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.443 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -70.56 -22.1 62.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 10.0 111.062 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -89.23 -38.63 14.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.696 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 69.3 mmtt -131.07 80.27 69.39 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.673 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -86.32 141.64 6.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.371 2.047 . . . . 10.0 111.805 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 33.2 Cg_endo -66.48 151.0 83.98 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.351 2.034 . . . . 10.0 111.201 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 48.0 Cg_exo -57.99 -24.19 64.11 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.911 2.408 . . . . 10.0 113.299 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -93.21 11.93 26.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.521 0.563 . . . . 10.0 112.521 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 tp -137.63 116.98 12.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.679 0.276 . . . . 10.0 110.257 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 22' ' ' ARG . 9.7 mmt180 -122.98 152.54 40.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.101 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.48 41.13 23.17 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.612 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.8 tp -74.76 94.82 2.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.849 0.357 . . . . 10.0 110.16 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -134.88 161.51 35.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.529 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.69 177.38 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.12 -0.326 . . . . 10.0 110.12 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.555 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 29.1 t70 -76.4 167.34 22.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.78 0.324 . . . . 10.0 110.959 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.85 -32.46 72.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.534 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.18 -38.5 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.508 0.559 . . . . 10.0 112.508 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.555 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 10.7 t-20 -93.68 123.32 36.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 10.0 111.263 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.58 -15.58 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 10.0 110.932 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.0 mt -90.35 5.87 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.293 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 54' ' ' ILE . 90.8 t -120.82 120.95 63.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.609 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 46.9 m0 -106.94 146.71 30.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.101 0.477 . . . . 10.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -124.21 125.8 45.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.903 -1.147 . . . . 10.0 107.903 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.4 153.25 35.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.834 -0.346 . . . . 10.0 111.479 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.2 mt -101.46 114.57 28.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.416 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.5 tp -84.67 133.75 34.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 mp -115.57 85.73 14.2 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.124 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.56 137.22 41.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.302 2.001 . . . . 10.0 110.296 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -88.12 -33.46 18.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.739 0.304 . . . . 10.0 111.396 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -60.88 126.87 86.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.979 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.36 152.57 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.416 2.077 . . . . 10.0 111.236 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -92.88 17.26 42.09 Favored 'Cis proline' 0 N--CA 1.461 -0.437 0 C-N-CA 123.74 -1.358 . . . . 10.0 112.33 0.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -73.12 -0.49 14.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.102 0.477 . . . . 10.0 110.988 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -84.21 -6.02 59.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.972 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.5 mt -81.61 -30.05 33.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 67.6 mmtt -137.73 -168.4 2.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.607 0.242 . . . . 10.0 111.03 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.85 154.84 43.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.823 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -124.95 121.01 33.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.528 -0.305 . . . . 10.0 110.728 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -79.3 139.12 37.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.674 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pp -120.24 152.81 37.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.834 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 53' ' ' ARG . 10.9 ttt180 -116.6 113.77 23.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.337 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.636 HG23 HG12 ' A' ' 67' ' ' ILE . 39.5 mt -99.4 113.37 34.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.06 107.98 18.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.896 0.379 . . . . 10.0 110.871 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -83.75 132.91 47.46 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.811 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 94.2 Cg_endo -82.83 150.08 14.2 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.311 2.008 . . . . 10.0 110.833 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -59.86 -18.11 47.52 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.53 2.153 . . . . 10.0 112.628 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.5 mp0 -84.66 5.02 29.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.587 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 15.6 t80 -56.0 137.17 73.29 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 110.343 -0.243 . . . . 10.0 110.343 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 65.3 Cg_endo -99.58 27.58 15.73 Favored 'Cis proline' 0 C--N 1.35 0.615 0 C-N-CA 124.241 -1.149 . . . . 10.0 113.565 0.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -76.09 -25.58 55.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 1.8 mmmm -118.78 137.74 25.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.672 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 37.5 Cg_endo -66.61 146.03 77.99 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.856 2.371 . . . . 10.0 112.927 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.595 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 58.2 Cg_endo -73.39 137.54 25.81 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.628 2.219 . . . . 10.0 111.601 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.0 mtm -84.76 107.61 17.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.502 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.636 HG12 HG23 ' A' ' 54' ' ' ILE . 55.4 mt -111.18 129.62 66.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.739 0.304 . . . . 10.0 110.47 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -139.51 165.06 28.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.864 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -91.12 135.38 33.81 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 121.039 -0.265 . . . . 10.0 111.039 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -89.63 -33.6 16.61 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.769 -0.826 . . . . 10.0 108.769 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 m -90.8 138.17 31.79 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.179 -0.919 . . . . 10.0 109.597 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -70.27 114.64 8.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.755 0.312 . . . . 10.0 110.682 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.6 tt -118.5 128.31 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.212 0.53 . . . . 10.0 111.643 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -81.75 79.88 8.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.315 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.566 ' HB3' HG23 ' A' ' 78' ' ' VAL . 22.1 t60 -124.8 138.55 31.57 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.95 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 37.9 Cg_endo -66.36 -0.43 4.26 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.138 2.559 . . . . 10.0 113.557 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -120.72 15.45 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.989 0.423 . . . . 10.0 110.31 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.566 HG23 ' HB3' ' A' ' 75' ' ' HIS . 26.1 t -132.89 147.3 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 108.433 -0.951 . . . . 10.0 108.433 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.16 174.36 7.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.694 0.283 . . . . 10.0 110.902 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.48 -32.06 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 10.0 111.983 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.61 -49.36 26.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.956 0.408 . . . . 10.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.51 20.66 0.69 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.821 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -86.49 146.65 26.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 10.0 110.3 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.0 pt -137.36 157.41 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.493 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 18.1 m -119.62 127.81 53.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.112 -0.494 . . . . 99.989999999999995 109.671 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.498 ' HB2' HG12 ' A' ' 89' ' ' ILE . 5.5 mp -128.55 121.22 21.14 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.951 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -61.24 -26.3 81.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.721 2.281 . . . . 10.0 111.768 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.498 HG22 ' HB3' ' A' ' 86' ' ' LEU . 19.6 tt -67.83 -25.74 33.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.877 -0.601 . . . . 10.0 112.056 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.498 HG12 ' HB2' ' A' ' 86' ' ' LEU . 33.4 pt -123.2 21.17 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 10.0 110.7 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.9 p -74.52 149.86 40.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.366 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -11.38 54.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.073 0.463 . . . . 10.0 110.97 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -100.85 -5.27 26.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.144 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -163.59 103.15 0.93 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.861 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -150.08 138.29 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.509 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.461 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 74.6 mttt -120.76 123.48 27.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 27.3 Cg_exo -64.2 -12.81 34.45 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.826 2.351 . . . . 10.0 112.396 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.73 -0.27 57.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.518 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.461 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 4.0 m -82.38 127.05 32.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.845 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 38.8 mtpt -92.09 161.11 14.9 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 178.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -57.39 -33.02 67.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.953 0.406 . . . . 10.0 111.333 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.44 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -59.48 -33.29 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.4 179.743 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -75.24 -41.13 58.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.373 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.46 ' HA ' HD13 ' A' ' 88' ' ' ILE . 21.6 t -63.49 -45.54 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.455 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.93 -38.08 89.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.821 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 109' ' ' VAL . 31.0 tt0 -65.96 -46.91 76.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.116 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.28 83.59 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.55 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 111' ' ' VAL . 67.7 tp -64.95 -45.43 85.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.324 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -55.21 -39.48 69.71 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.723 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 105' ' ' GLU . 58.3 t -64.7 -44.61 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.232 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.72 -28.46 69.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 10.0 111.562 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 107' ' ' LEU . 97.0 t -76.07 -48.43 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.942 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -73.91 -27.62 61.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.17 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 113' ' ' ARG . 15.4 mmm180 -118.92 92.79 45.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.56 116.15 3.93 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.655 2.237 . . . . 10.0 111.641 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.37 106.56 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.423 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 19.1 pt -85.16 -11.0 11.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.612 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -75.04 -60.03 2.47 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.99 80.19 34.03 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.717 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -94.03 174.85 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.792 2.328 . . . . 10.0 111.759 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.6 mp -98.57 -12.68 20.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.24 0.543 . . . . 10.0 109.85 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.577 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 17.6 mtp180 -130.93 115.5 16.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.007 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 88.0 mtp -74.5 -11.15 60.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.438 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.577 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 33.6 p-10 -90.68 -57.11 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.54 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.557 HD22 ' HD3' ' A' ' 121' ' ' ARG . 5.7 mp -62.17 -40.34 95.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.895 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.28 89.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.695 0.283 . . . . 10.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.09 -41.49 74.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.254 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.21 -40.98 95.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.364 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.44 -38.62 91.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.319 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -35.19 62.16 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.981 -0.287 . . . . 10.0 111.105 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -70.63 -52.55 20.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.938 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -148.38 97.23 3.82 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.407 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.45 -38.64 93.78 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.287 2.658 . . . . 10.0 113.284 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 137' ' ' LYS . 28.5 tp10 -64.48 -43.14 95.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.73 -0.214 . . . . 10.0 111.308 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.0 tp -59.22 -45.92 89.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.012 0.434 . . . . 10.0 110.325 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.553 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 74.7 t80 -66.19 -41.29 90.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.992 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.454 HH12 ' CD ' ' A' ' 140' ' ' GLU . 23.7 ttp85 -61.04 -35.12 76.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 133' ' ' GLU . 61.9 mttm -63.23 -53.75 48.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 10.0 111.051 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -61.18 -42.64 98.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.138 0.494 . . . . 10.0 109.833 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.14 83.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.971 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.454 ' CD ' HH12 ' A' ' 136' ' ' ARG . 18.5 tt0 -62.53 -48.61 78.77 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.806 0.336 . . . . 10.0 110.271 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 5.0 tt0 -61.93 -42.15 98.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.986 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.09 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.649 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 32.7 m -63.43 -39.31 94.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.248 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 94.2 mt -81.35 -13.69 58.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.005 0.431 . . . . 10.0 111.726 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 1.3 ttp180 -92.13 -55.89 3.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -99.69 -23.02 15.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -60.4 140.52 48.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.127 -0.559 . . . . 10.0 113.408 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 10.5 t -81.01 152.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.782 -0.821 . . . . 10.0 108.782 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.81 133.54 51.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.713 0.292 . . . . 10.0 111.438 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 150' ' ' ARG . 11.2 ttt180 -77.23 119.21 76.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.259 -179.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo . . . . . 0 C--O 1.247 0.944 0 C-N-CA 123.009 2.473 . . . . 10.0 112.02 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.61 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.8 ptt? . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.855 0.359 . . . . 10.0 110.641 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -85.35 127.52 34.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 10.0 112.393 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.9 pt -129.27 162.67 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -119.51 131.47 55.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.53 0.205 . . . . 10.0 110.776 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.572 ' HB ' HG13 ' B' ' 13' ' ' ILE . 52.7 t -113.68 112.05 38.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -99.65 131.0 45.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.045 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 55.2 p -96.39 175.27 6.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.445 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.589 HD11 HG13 ' B' ' 70' ' ' VAL . 94.2 mt -72.29 -15.42 61.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.965 0.412 . . . . 10.0 110.703 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.59 10.41 30.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.147 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.24 -38.75 3.06 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.014 -0.612 . . . . 10.0 112.375 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -46.4 115.12 0.94 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.11 0.564 . . . . 10.0 111.254 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -108.64 119.55 39.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.713 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.572 HG13 ' HB ' ' B' ' 5' ' ' VAL . 21.6 pt -104.98 155.77 6.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.968 0.413 . . . . 10.0 111.405 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.46 142.78 30.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.185 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.706 HD11 ' HB3' ' B' ' 29' ' ' LYS . 19.3 tp -139.51 139.52 36.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.008 0.432 . . . . 10.0 111.703 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -99.18 107.94 20.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.568 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.9 m -137.66 168.71 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.2 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 23.4 mm-40 -125.14 154.69 71.68 Favored Pre-proline 0 C--N 1.319 -0.757 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 79.1 Cg_exo -52.0 -29.08 34.5 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.671 2.247 . . . . 10.0 113.034 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.31 -0.74 47.02 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.933 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -76.7 140.58 40.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.71 0.29 . . . . 10.0 110.316 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.41 ' O ' HG23 ' B' ' 26' ' ' VAL . 8.3 p -87.5 151.02 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.257 -0.645 . . . . 10.0 109.257 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 41.8 mm -58.33 -33.19 46.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.051 0.453 . . . . 10.0 110.244 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.626 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 1.0 OUTLIER -61.33 -43.61 98.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.142 178.381 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -69.65 -34.64 74.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 10.0 109.987 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 22' ' ' THR . 75.9 t -60.64 -44.14 96.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.582 178.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.65 -42.05 96.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.361 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.82 92.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.316 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.706 ' HB3' HD11 ' B' ' 15' ' ' LEU . 95.4 mttt -65.17 -35.47 81.18 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.219 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.1 mt -69.41 -41.72 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -64.8 -28.36 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.477 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.93 -34.06 77.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.813 -0.631 . . . . 10.0 112.191 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' B' ' 33' ' ' LYS . 15.6 ptpt -106.63 -40.32 5.57 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -89.16 -30.89 18.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.67 -10.92 73.52 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.625 -0.797 . . . . 10.0 113.025 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 25.4 mt -63.55 119.5 54.29 Favored Pre-proline 0 C--N 1.33 -0.258 0 C-N-CA 122.282 0.233 . . . . 10.0 111.089 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 25.0 Cg_exo -65.04 139.84 63.06 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.779 2.319 . . . . 10.0 111.528 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.23 -24.18 40.57 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.351 2.7 . . . . 10.0 112.974 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.66 -26.53 67.84 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.295 0.569 . . . . 10.0 110.498 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -109.28 16.32 22.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.862 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -104.49 108.52 20.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.601 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.541 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 54.7 ttt-85 -110.13 91.84 3.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.629 ' HB3' HD12 ' B' ' 50' ' ' LEU . 38.3 mt -82.07 119.9 24.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.943 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -119.45 132.24 69.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.188 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.498 ' HB3' HD21 ' B' ' 50' ' ' LEU . 79.7 t80 -149.19 134.12 18.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.914 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.19 37.17 26.23 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.145 0.498 . . . . 10.0 111.255 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.3 58.41 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.469 -0.787 . . . . 10.0 113.453 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -122.81 159.32 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.694 0.283 . . . . 10.0 110.859 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -92.43 134.44 34.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.065 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' B' ' 43' ' ' LEU . 60.2 mt -81.5 108.32 14.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.624 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 42.4 tt0 -73.93 134.13 43.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.276 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.626 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 3.5 m-20 -52.53 -41.49 63.54 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.75 -4.59 71.48 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.992 -0.623 . . . . 10.0 113.788 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.48 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 4.9 mmp_? -96.7 157.05 16.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.862 0.363 . . . . 10.0 110.432 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 34.5 p -102.54 174.4 5.91 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 89.7 mt -64.95 -35.5 81.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 10.0 110.831 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.0 m -68.6 -22.0 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.314 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.8 m-20 -62.67 -36.4 82.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.96 0.409 . . . . 10.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -104.09 10.87 35.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.665 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 56.52 52.48 9.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.64 0.733 . . . . 10.0 110.498 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.6 mt -96.01 110.46 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.098 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.92 -167.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.61 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 3.1 pttp -82.12 161.66 22.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.613 -0.435 . . . . 10.0 110.587 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 1.1 mp0 74.95 4.9 4.33 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.683 0.614 . . . . 10.0 112.114 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -78.16 140.22 38.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -104.17 107.69 18.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.01 0.433 . . . . 10.0 110.741 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 45.3 mt -84.74 148.82 26.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.869 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -104.8 114.79 29.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -98.96 107.21 19.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.1 0.476 . . . . 10.0 111.471 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.589 HG13 HD11 ' B' ' 8' ' ' LEU . 15.3 t -97.76 135.42 32.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.372 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.27 134.09 34.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.748 0.308 . . . . 10.0 111.398 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -115.27 87.33 2.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.69 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.92 126.88 31.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -89.59 86.3 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.021 0.439 . . . . 10.0 111.63 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.85 176.4 22.3 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.913 -0.661 . . . . 10.0 112.584 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 117.9 -1.048 . . . . 99.989999999999995 109.352 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.707 0.289 . . . . 10.0 111.291 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -58.2 -32.0 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.946 -179.449 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 43.6 ttm -57.77 -45.15 86.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.08 -35.28 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.058 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.83 -44.29 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.374 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 3' ' ' SER . 92.3 t -63.44 -35.71 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.189 0.519 . . . . 10.0 109.756 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -65.58 -50.5 64.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.619 -0.718 . . . . 10.0 109.904 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 44.6 mt-10 -63.29 -33.82 76.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.473 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.8 tp -60.65 -51.36 69.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.516 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.59 -37.89 87.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.435 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.69 -40.38 87.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.365 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 mt -87.58 -28.05 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.618 0.599 . . . . 10.0 112.618 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -77.12 -40.55 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.964 -0.294 . . . . 10.0 111.694 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -75.9 -20.15 58.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.149 0.5 . . . . 10.0 110.672 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -140.06 73.36 32.6 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.743 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 72.2 Cg_endo -77.82 145.7 22.92 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.797 2.331 . . . . 10.0 113.237 -178.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 21' ' ' LEU . 3.4 Cg_exo -79.29 152.86 24.01 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 123.153 2.569 . . . . 10.0 110.733 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 38.2 Cg_exo -62.82 -21.21 72.89 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.954 2.436 . . . . 10.0 112.621 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -99.31 7.78 45.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.527 HD22 HD13 ' A' ' 104' ' ' LEU . 13.2 tp -139.77 114.01 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.774 0.321 . . . . 10.0 111.041 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.96 164.33 25.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.407 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 64.95 29.64 12.24 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.296 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 48.6 tp -70.24 102.93 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.74 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.67 144.94 49.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.451 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.69 161.74 28.28 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.531 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 19.4 t70 -61.42 152.63 29.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.097 0.475 . . . . 10.0 110.91 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.91 -19.52 51.64 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.829 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.62 -42.79 3.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.854 0.359 . . . . 10.0 111.361 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.531 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 3.1 t-20 -106.31 154.53 20.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.022 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 p -103.67 -15.57 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.247 0.546 . . . . 10.0 110.753 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 56' ' ' PHE . 92.4 mt -93.22 7.89 42.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.879 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.1 t -120.18 120.77 63.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.178 -0.464 . . . . 10.0 109.973 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.752 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 47.2 m0 -108.65 150.89 26.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.835 0.35 . . . . 10.0 111.075 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -133.69 124.31 26.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 24' ' ' LEU . . . -150.39 164.5 35.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.969 0.414 . . . . 10.0 111.735 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.9 mt -106.84 124.65 49.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.347 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 31.3 tp -90.98 136.29 33.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.592 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mp -113.24 89.73 15.08 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.603 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 12.2 Cg_exo -71.69 146.14 48.09 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.548 2.165 . . . . 10.0 110.637 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.98 -34.26 10.5 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 111.627 0.232 . . . . 10.0 111.627 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 5.5 tp-100 -59.73 119.82 44.01 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 31.2 Cg_exo -61.56 146.46 96.92 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.561 2.174 . . . . 10.0 110.791 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -94.66 19.63 34.44 Favored 'Cis proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.666 -1.389 . . . . 10.0 112.717 0.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -70.14 -5.49 27.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.017 0.437 . . . . 10.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -79.0 -20.22 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.19 -47.47 76.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 62.4 mmtt -124.07 -170.69 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.791 0.329 . . . . 10.0 111.347 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.23 164.86 19.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -130.03 141.84 50.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.654 0.264 . . . . 10.0 111.063 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -91.79 137.96 31.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.032 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -127.67 152.5 47.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.949 0.404 . . . . 10.0 111.057 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 53' ' ' ARG . 3.7 ttt180 -117.84 117.94 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.631 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.752 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 58.5 mt -100.39 111.85 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.73 111.68 23.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.775 0.322 . . . . 10.0 111.383 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.441 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 80.2 m-85 -88.13 127.13 58.53 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.376 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.517 ' HB2' ' OE1' ' A' ' 59' ' ' GLU . 82.2 Cg_endo -77.93 152.55 28.48 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.424 2.083 . . . . 10.0 111.466 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.43 -20.11 67.09 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.799 2.333 . . . . 10.0 112.664 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.764 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 2.0 mp0 -86.93 10.05 17.46 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.722 0.296 . . . . 10.0 111.507 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.602 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 10.9 t80 -60.1 142.4 89.49 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.602 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 94.2 Cg_endo -96.67 22.07 27.05 Favored 'Cis proline' 0 N--CA 1.459 -0.52 0 C-N-CA 124.297 -1.126 . . . . 10.0 113.607 0.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -78.55 -18.13 55.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.294 0.568 . . . . 10.0 110.359 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.764 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -116.8 130.16 24.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.386 -0.825 . . . . 10.0 108.806 178.696 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.68 143.29 96.39 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.022 2.481 . . . . 10.0 112.985 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 54.5 Cg_endo -70.91 140.3 38.05 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.581 2.187 . . . . 10.0 111.57 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mtm -93.17 101.81 14.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.655 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.562 HG12 HG23 ' A' ' 54' ' ' ILE . 47.3 mt -106.68 129.57 59.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.241 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.423 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 11.7 ptmm? -140.19 162.45 35.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.799 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -86.94 137.61 32.22 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.17 2.81 43.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.943 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.85 161.59 25.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.169 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -81.77 90.46 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 10.0 111.092 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.455 HG23 HG11 ' A' ' 78' ' ' VAL . 5.7 tt -105.21 116.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.142 0.496 . . . . 10.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.2 87.5 6.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.613 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -126.21 136.82 29.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.547 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.499 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 15.3 Cg_endo -57.1 -16.37 21.1 Favored 'Trans proline' 0 N--CA 1.477 0.536 0 C-N-CA 123.296 2.664 . . . . 10.0 113.826 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -115.34 21.37 14.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.646 0.26 . . . . 10.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.455 HG11 HG23 ' A' ' 73' ' ' ILE . 90.6 t -133.57 136.21 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.215 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.408 ' HB3' ' HB2' ' A' ' 83' ' ' GLN . 12.8 t70 -80.98 161.48 24.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.559 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -58.37 -30.63 66.93 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -89.43 -0.68 57.66 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.012 0.434 . . . . 10.0 111.344 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.2 15.23 48.79 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.583 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 7.8 mm100 -78.0 140.51 39.18 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.413 HG22 HG22 ' A' ' 78' ' ' VAL . 22.9 pt -134.13 170.47 19.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.866 0.365 . . . . 10.0 111.33 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 1.22 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 18.9 m -127.67 116.11 19.78 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.128 -1.064 . . . . 99.989999999999995 108.128 178.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.784 ' HG ' HG22 ' A' ' 88' ' ' ILE . 15.4 tp -131.2 109.83 15.21 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.752 0.31 . . . . 10.0 110.835 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.454 ' HD2' HD12 ' A' ' 86' ' ' LEU . 11.5 Cg_endo -54.34 -30.49 63.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.553 2.836 . . . . 10.0 113.939 -178.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.784 HG22 ' HG ' ' A' ' 86' ' ' LEU . 12.9 tt -68.02 -25.18 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.418 HG12 ' HB3' ' A' ' 86' ' ' LEU . 16.6 pt -117.18 25.19 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 121.24 0.543 . . . . 10.0 110.706 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.9 p -74.84 159.85 31.4 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.354 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m -82.51 7.67 13.79 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.126 0.489 . . . . 10.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -42.78 3.44 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.132 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.2 32.78 5.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.364 -0.38 . . . . 10.0 112.006 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -77.53 136.39 38.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.223 0.535 . . . . 10.0 111.683 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.434 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 46.0 mtpt -126.31 113.97 23.51 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.414 -0.958 . . . . 10.0 108.414 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.4 -23.14 53.7 Favored 'Trans proline' 0 N--CA 1.475 0.398 0 C-N-CA 123.391 2.727 . . . . 10.0 113.42 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.9 p -72.09 -21.64 61.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.279 -0.418 . . . . 10.0 111.495 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 1.8 m -73.94 132.2 42.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.003 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 60.1 mtpt -102.23 166.44 10.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.119 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -57.22 -29.24 63.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.63 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.22 76.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.051 0.453 . . . . 10.0 110.764 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -78.6 -34.33 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.735 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.77 -48.6 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.614 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.527 HD13 HD22 ' A' ' 21' ' ' LEU . 87.7 mt -62.47 -32.5 73.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.104 0.478 . . . . 10.0 110.941 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 109' ' ' VAL . 38.1 tt0 -66.64 -49.28 66.73 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.01 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.92 86.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.255 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 111' ' ' VAL . 63.0 tp -61.66 -47.02 87.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.786 178.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -37.94 75.51 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.573 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 105' ' ' GLU . 76.8 t -63.48 -47.76 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.669 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.19 -25.27 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.192 0.441 . . . . 10.0 112.192 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 107' ' ' LEU . 63.8 t -74.02 -47.24 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -74.94 -36.38 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.664 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -114.94 91.74 27.74 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.994 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.33 123.64 11.78 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.608 2.205 . . . . 10.0 112.314 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -79.51 108.77 13.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.518 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 30.3 pt -83.62 -10.85 11.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.659 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.0 mtp-105 -72.47 -51.34 20.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.214 0.53 . . . . 10.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -125.41 79.97 66.1 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.552 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -93.7 159.28 2.34 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.815 2.343 . . . . 10.0 112.099 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 85' ' ' CYS . 10.0 mp -90.74 -29.27 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.499 0.666 . . . . 10.0 109.286 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.481 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 15.0 mtp180 -120.45 105.2 10.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.193 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -33.07 75.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.384 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.481 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 14.8 p-10 -63.35 -47.35 82.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.406 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.666 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 2.3 mp -72.78 -39.39 66.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.798 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.5 94.01 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.056 0.455 . . . . 10.0 110.505 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.66 -51.96 59.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.118 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 48.5 tp -57.58 -39.94 77.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.3 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 tp -58.87 -39.5 81.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.316 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m -84.13 -33.61 24.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.562 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -71.76 -46.89 57.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.866 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -147.59 95.34 4.29 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.39 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.83 -36.94 99.06 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.998 2.465 . . . . 10.0 112.197 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -68.68 -44.69 73.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.089 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.98 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.076 0.465 . . . . 10.0 110.154 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.666 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 88.1 t80 -65.81 -41.65 91.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.843 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -59.78 -44.44 93.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.01 -41.47 90.95 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.737 0.303 . . . . 10.0 110.807 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -61.08 -49.95 75.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 10.0 109.832 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.64 75.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.203 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.05 -43.94 95.03 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.931 0.396 . . . . 10.0 109.983 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 10.9 tt0 -60.51 -48.55 81.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.93 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -42.75 99.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.741 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.9 m -62.97 -39.06 93.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.585 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 75.0 mt -89.02 3.93 50.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.132 0.492 . . . . 10.0 111.353 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 30.8 ttt180 -110.67 -47.95 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.486 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -123.13 29.58 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.68 0.276 . . . . 10.0 111.28 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -103.8 151.97 17.74 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.554 -0.832 . . . . 10.0 112.18 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 13.2 t -87.14 148.97 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -55.79 133.44 51.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.711 0.291 . . . . 10.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 12.3 tpt180 -68.04 118.29 57.15 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.087 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 150' ' ' ARG . 30.0 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.853 2.369 . . . . 10.0 111.581 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.0 ptt? . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.829 0.347 . . . . 10.0 110.575 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -86.61 130.09 34.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.955 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.6 pt -127.25 172.52 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' B' ' 66' ' ' THR . 39.6 m-85 -123.02 134.6 54.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.903 0.382 . . . . 10.0 111.009 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.448 ' HB ' HG13 ' B' ' 13' ' ' ILE . 32.1 t -117.66 110.57 31.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -100.99 130.79 47.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.093 0.473 . . . . 10.0 111.261 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -91.95 171.47 9.1 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.047 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.576 HD11 HG13 ' B' ' 70' ' ' VAL . 48.1 mt -72.49 -13.68 61.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.919 0.39 . . . . 10.0 111.083 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -0.37 57.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.389 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.4 -17.77 58.31 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.92 -0.657 . . . . 10.0 113.35 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -67.91 113.8 5.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.778 0.323 . . . . 10.0 110.455 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -105.29 114.66 28.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.717 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.448 HG13 ' HB ' ' B' ' 5' ' ' VAL . 27.2 pt -103.52 144.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.048 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.5 137.01 32.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.517 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' B' ' 29' ' ' LYS . 14.3 tp -133.67 136.98 45.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.812 0.339 . . . . 10.0 110.771 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -109.58 113.68 26.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.36 0.6 . . . . 10.0 110.378 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.7 m -132.92 -177.29 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.29 -178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.479 ' O ' HD12 ' B' ' 56' ' ' LEU . 23.1 mm-40 -131.35 160.64 66.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.37 -25.82 67.67 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.804 2.336 . . . . 10.0 112.795 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.93 9.96 33.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.654 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -83.82 138.13 33.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.246 -0.279 . . . . 10.0 110.246 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.415 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -89.43 150.56 22.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.57 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.409 HD12 HD13 ' B' ' 50' ' ' LEU . 51.1 mm -56.69 -38.11 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 10.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -60.42 -42.31 95.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.468 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.89 -34.93 76.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.924 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 22' ' ' THR . 76.7 t -60.76 -43.24 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.68 -42.67 97.58 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.532 -0.758 . . . . 10.0 110.105 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.35 84.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.782 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.549 ' HB3' HD11 ' B' ' 15' ' ' LEU . 94.2 mttt -64.59 -38.43 90.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.579 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.71 -36.47 70.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.039 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -65.56 -25.84 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.783 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.98 -51.49 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.645 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.462 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 7.5 ptpt -78.77 -44.23 23.76 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.74 1.015 . . . . 10.0 113.74 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -88.99 -53.1 4.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.774 0.321 . . . . 10.0 111.695 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.36 -9.26 20.15 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.468 -0.873 . . . . 10.0 112.535 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -68.29 123.27 87.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.2 Cg_exo -61.37 141.55 92.83 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.947 2.431 . . . . 10.0 112.141 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.1 Cg_exo -56.53 -25.89 61.04 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.577 2.851 . . . . 10.0 113.153 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -67.99 -33.28 74.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.394 0.616 . . . . 10.0 110.483 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -95.89 5.5 51.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.796 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 67.6 mt-30 -95.98 106.14 18.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.58 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.643 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 56.2 ttt180 -107.03 93.91 4.81 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.528 ' HB3' HD12 ' B' ' 50' ' ' LEU . 57.7 mt -84.33 121.53 27.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.176 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mm -116.85 131.94 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.653 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.562 ' HB3' HD21 ' B' ' 50' ' ' LEU . 73.8 t80 -141.05 125.89 18.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.74 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 35.31 25.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.487 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.14 3.12 68.41 Favored Glycine 0 CA--C 1.519 0.289 0 CA-C-N 115.653 -0.703 . . . . 10.0 112.864 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -110.93 145.9 37.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.767 0.318 . . . . 10.0 110.619 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -89.9 125.71 35.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.916 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' B' ' 45' ' ' PHE . 36.4 mt -75.2 126.31 30.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.273 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -85.97 134.0 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.175 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -43.17 58.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.56 24.04 11.18 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.712 -0.756 . . . . 10.0 113.804 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -114.15 162.99 15.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.021 0.41 . . . . 10.0 109.899 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.82 160.55 15.16 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.479 HD12 ' O ' ' B' ' 18' ' ' GLU . 65.0 mt -63.34 -22.13 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 10.0 110.649 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -31.27 68.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.243 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -60.58 -38.69 85.43 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.937 0.399 . . . . 10.0 111.454 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -97.49 5.87 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.986 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.7 t30 56.58 50.38 12.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.784 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.7 mt -84.23 111.7 20.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.26 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -92.15 -168.66 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.181 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.4 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 19.7 pttp -77.72 155.4 31.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.998 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 65.23 17.12 10.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.563 0.949 . . . . 10.0 113.563 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -77.27 150.82 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -113.04 112.1 23.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.244 0.545 . . . . 10.0 111.993 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.9 mt -93.01 143.62 26.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.518 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -100.33 123.28 44.36 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 tp -100.67 106.62 18.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.025 0.441 . . . . 10.0 111.747 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.643 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 50.4 t -94.27 126.92 46.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 tp -77.25 111.34 12.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 10.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 -88.79 95.43 10.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.399 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 mp -70.98 117.32 12.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' B' ' 74' ' ' ARG . 21.3 ttp180 -95.65 61.15 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.617 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.77 152.15 5.62 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.156 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 1.22 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.91 -1.043 . . . . 99.989999999999995 109.402 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.78 0.324 . . . . 10.0 111.232 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 7' ' ' VAL . 5.1 m -61.19 -30.19 70.27 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.5 mtt -57.1 -40.23 76.6 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.855 0.359 . . . . 10.0 110.873 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -80.01 -36.52 35.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.2 t -56.19 -51.22 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.803 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 3' ' ' SER . 40.9 t -62.11 -33.28 57.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.949 0.404 . . . . 10.0 110.509 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -68.97 -50.24 50.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.186 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.698 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.4 mt-10 -60.79 -39.31 88.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.56 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 14.6 tp -61.85 -46.92 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.528 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 9.9 tt0 -61.56 -39.28 90.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.228 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -61.11 -48.31 82.25 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 10.0 110.675 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.6 mt -71.17 -27.21 63.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.619 -0.719 . . . . 10.0 112.032 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -79.67 -28.7 40.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 10.0 111.339 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 85.9 mttt -75.29 -42.41 54.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.201 0.525 . . . . 10.0 109.741 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -127.81 80.23 72.36 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.053 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 65.1 Cg_endo -73.62 140.6 29.84 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.76 2.306 . . . . 10.0 113.196 -178.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 21' ' ' LEU . 12.3 Cg_exo -72.54 147.58 46.27 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.806 2.338 . . . . 10.0 110.396 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.6 Cg_exo -55.56 -34.73 90.88 Favored 'Trans proline' 0 N--CA 1.473 0.299 0 C-N-CA 122.746 2.297 . . . . 10.0 112.913 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -88.99 -1.08 57.94 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' HB3' ' HD2' ' A' ' 18' ' ' PRO . 15.4 tp -126.21 110.64 13.67 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.766 -0.373 . . . . 10.0 110.77 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -125.95 156.96 38.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.484 -0.326 . . . . 10.0 111.715 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.13 32.6 12.55 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.83 -0.623 . . . . 10.0 112.675 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.4 tp -73.57 111.42 8.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.025 0.44 . . . . 10.0 110.917 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.12 154.84 47.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.692 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.62 154.44 28.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.976 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.657 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 17.8 t70 -64.21 143.99 57.47 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.935 -0.394 . . . . 10.0 109.935 179.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.62 -30.94 71.73 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.65 -49.41 4.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.657 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 44.1 t30 -115.43 114.04 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.884 0.373 . . . . 10.0 111.896 -178.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.23 -17.07 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.86 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.75 -2.09 41.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.74 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 54' ' ' ILE . 80.5 t -114.85 121.44 66.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.713 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 48.0 m0 -103.93 142.55 34.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.912 0.387 . . . . 10.0 110.782 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -122.96 124.47 43.26 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.65 161.57 42.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.812 0.339 . . . . 10.0 111.413 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.89 123.88 49.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.215 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.511 ' HB2' HD23 ' A' ' 52' ' ' LEU . 27.4 tp -93.06 130.63 38.6 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.894 HD21 ' HD2' ' A' ' 151' ' ' PRO . 6.6 mp -118.2 92.47 42.84 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.309 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.18 146.91 47.03 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.488 2.125 . . . . 10.0 110.362 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -95.3 -21.38 18.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.118 0.485 . . . . 10.0 110.929 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 58.2 tp60 -78.35 123.9 85.72 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.944 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 32.3 Cg_exo -62.62 154.42 65.22 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.617 2.212 . . . . 10.0 111.282 178.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -89.66 7.99 66.78 Favored 'Cis proline' 0 N--CA 1.463 -0.298 0 C-N-CA 123.72 -1.367 . . . . 10.0 112.619 0.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -70.46 -4.61 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.957 0.408 . . . . 10.0 111.058 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.12 -6.7 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.392 0.516 . . . . 10.0 112.392 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.4 mt -84.11 -33.17 24.38 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.183 0.438 . . . . 10.0 112.183 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 68.6 mmtt -131.35 -167.22 1.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.545 -0.298 . . . . 10.0 110.679 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.98 160.22 35.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.487 ' HD1' ' HB ' ' A' ' 71' ' ' THR . 83.6 m-85 -125.26 141.69 51.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.704 0.288 . . . . 10.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -93.62 128.0 39.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.005 0.431 . . . . 10.0 110.856 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.511 HD23 ' HB2' ' A' ' 38' ' ' LEU . 1.9 pp -111.26 146.54 36.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.98 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.95 109.94 18.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.512 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.713 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 48.4 mt -94.47 119.45 42.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.641 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.14 108.9 17.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.698 0.285 . . . . 10.0 111.566 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -84.42 129.2 58.63 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.33 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.692 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 90.7 Cg_endo -80.85 156.34 20.67 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.491 2.127 . . . . 10.0 111.447 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.78 -12.94 37.98 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.529 2.153 . . . . 10.0 112.188 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.6 mp0 -96.31 14.38 24.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.425 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.635 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 21.6 t80 -65.48 145.3 99.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.635 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 77.8 Cg_endo -94.21 15.49 42.96 Favored 'Cis proline' 0 C--N 1.345 0.378 0 C-N-CA 124.346 -1.106 . . . . 10.0 113.177 0.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -70.01 -32.74 71.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.77 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -105.6 132.36 20.95 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.368 178.849 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.742 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 37.5 Cg_endo -67.25 141.81 58.28 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.793 2.329 . . . . 10.0 112.871 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.692 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 54.8 Cg_endo -71.92 137.41 29.38 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.54 2.16 . . . . 10.0 111.514 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.7 mtm -88.72 106.69 18.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.915 0.388 . . . . 10.0 111.202 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.691 HG12 HG23 ' A' ' 54' ' ' ILE . 48.2 mt -104.24 126.89 58.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.825 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 11.5 ptmm? -136.36 164.86 27.13 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -94.56 136.22 35.11 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.148 -0.315 . . . . 10.0 110.148 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 m -89.66 -38.99 13.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.642 0.734 . . . . 10.0 109.454 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 146' ' ' PHE . 0.2 OUTLIER -83.69 153.89 23.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.94 179.625 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 72' ' ' LYS . 29.6 mmtm -82.56 106.13 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.967 0.413 . . . . 10.0 111.573 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.529 HG23 HG11 ' A' ' 78' ' ' VAL . 4.3 tt -109.75 120.85 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.857 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.03 83.47 5.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.458 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -126.32 137.38 30.16 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.413 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.477 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 19.6 Cg_endo -60.24 -9.43 10.48 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.256 2.638 . . . . 10.0 113.907 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 119' ' ' PRO . 14.2 m120 -119.47 19.73 12.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.719 0.295 . . . . 10.0 110.764 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.529 HG11 HG23 ' A' ' 73' ' ' ILE . 59.4 t -134.6 136.32 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.791 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.562 ' HB3' ' HB2' ' A' ' 83' ' ' GLN . 19.5 t70 -87.26 160.61 18.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.28 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -62.53 -21.01 65.22 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.332 0.864 . . . . 10.0 113.332 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.444 ' HB3' ' HG2' ' A' ' 83' ' ' GLN . 64.6 t30 -89.66 0.15 57.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.606 . . . . 10.0 110.254 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.82 15.6 57.74 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.339 -0.704 . . . . 10.0 111.339 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 11.5 mm100 -81.23 143.47 32.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.728 0.299 . . . . 10.0 110.283 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.1 pt -141.11 179.46 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.701 ' SG ' ' HA ' ' B' ' 76' ' ' CYS . 16.2 m -134.06 113.05 11.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.772 -0.649 . . . . 99.989999999999995 109.486 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 89' ' ' ILE . 96.4 mt -118.38 107.44 43.19 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.834 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.47 -18.34 45.93 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 123.127 2.552 . . . . 10.0 112.615 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.501 HD13 ' HA ' ' A' ' 103' ' ' VAL . 19.9 tt -75.27 -25.4 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.565 -0.289 . . . . 10.0 111.5 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.486 ' HB ' ' HB2' ' A' ' 64' ' ' PRO . 27.6 pt -127.15 28.27 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.366 0.603 . . . . 10.0 110.141 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.4 p -84.07 161.85 20.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.646 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -19.39 63.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.027 0.441 . . . . 10.0 110.344 179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.47 -34.23 21.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.782 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -140.51 111.84 7.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.263 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -155.78 137.99 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.721 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 52.6 mtpt -130.92 120.81 18.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.82 -17.99 53.72 Favored 'Trans proline' 0 N--CA 1.476 0.45 0 C-N-CA 123.131 2.554 . . . . 10.0 112.699 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -76.98 -9.92 59.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.446 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.2 m -85.24 136.08 33.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.047 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.698 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 54.8 mtpt -97.21 160.26 14.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.658 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.2 m -58.86 -28.35 66.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.371 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.28 -32.29 69.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.714 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -84.37 -32.57 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.537 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.501 ' HA ' HD13 ' A' ' 88' ' ' ILE . 41.0 t -65.51 -45.27 93.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.859 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.419 HD21 HD11 ' A' ' 54' ' ' ILE . 80.0 mt -64.84 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.457 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.33 -48.36 67.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.597 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.56 82.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.046 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 111' ' ' VAL . 63.6 tp -61.87 -47.42 85.1 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.021 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -59.8 -37.59 79.56 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.929 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.02 -45.67 96.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.496 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.14 -27.19 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.712 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 107' ' ' LEU . 70.2 t -74.67 -50.27 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.725 0.298 . . . . 10.0 110.828 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -71.92 -33.06 67.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.33 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -114.72 93.86 34.99 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.029 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.6 126.43 16.8 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 122.847 2.365 . . . . 10.0 112.562 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -84.64 102.76 13.18 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 pt -86.1 -8.46 11.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.888 0.375 . . . . 10.0 111.206 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.2 -43.17 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -126.3 74.55 73.15 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.03 -0.987 . . . . 10.0 109.418 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.457 ' HA ' ' ND2' ' A' ' 77' ' ' ASN . 93.3 Cg_endo -97.56 171.04 0.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.761 2.308 . . . . 10.0 112.747 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.8 mp -101.8 -28.78 12.24 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -120.26 95.62 4.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.51 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -58.08 -31.37 67.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.782 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -65.5 -48.79 71.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.069 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.4 mp -70.91 -31.22 67.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.616 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.6 -51.98 50.4 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.435 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.09 -35.68 81.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.699 0.285 . . . . 10.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.569 HD11 HD23 ' A' ' 134' ' ' LEU . 43.1 tp -60.29 -44.02 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.748 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 135' ' ' PHE . 50.7 tp -66.28 -29.24 69.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.018 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 m -80.65 -34.18 35.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.096 0.474 . . . . 10.0 110.373 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -75.71 -65.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -131.6 98.43 18.09 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.087 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.34 -42.27 70.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 123.159 2.573 . . . . 10.0 112.958 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.667 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 20.7 tp10 -61.78 -40.15 94.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.583 -0.281 . . . . 10.0 111.728 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.569 HD23 HD11 ' A' ' 127' ' ' LEU . 5.8 tp -60.21 -46.53 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 10.0 110.144 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.477 ' CZ ' ' HD3' ' A' ' 76' ' ' PRO . 73.5 t80 -69.29 -40.16 77.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.849 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -55.48 -48.75 74.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.028 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.667 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 61.6 mttm -66.75 -43.85 83.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -59.14 -44.56 92.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.613 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.67 -33.21 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.106 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -64.3 -44.74 90.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.807 0.337 . . . . 10.0 110.3 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.15 -40.15 80.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.802 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.6 -44.52 70.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.668 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.4 m -63.5 -38.6 91.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.633 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.08 -13.09 60.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.431 0.53 . . . . 10.0 112.431 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -108.36 -45.81 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.489 ' O ' HG22 ' A' ' 71' ' ' THR . 50.1 m-85 -107.14 18.48 21.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -105.63 151.37 17.1 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.733 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.493 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 3.6 t -85.32 154.78 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.928 -0.767 . . . . 10.0 108.928 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.43 149.28 39.0 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.439 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 6.8 tpt180 -84.31 115.91 62.52 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.783 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.894 ' HD2' HD21 ' A' ' 39' ' ' LEU . 58.5 Cg_endo . . . . . 0 C--O 1.251 1.165 0 C-N-CA 123.231 2.621 . . . . 10.0 111.531 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.72 0.295 . . . . 10.0 110.323 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -95.89 130.82 42.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.059 0.457 . . . . 10.0 111.481 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 pt -124.48 161.22 28.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.734 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.44 ' HE2' ' HG3' ' B' ' 64' ' ' GLU . 94.7 m-85 -111.32 131.43 55.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.588 0.232 . . . . 10.0 110.639 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.53 ' HB ' HG13 ' B' ' 13' ' ' ILE . 24.0 t -114.69 115.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -103.5 123.43 46.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.935 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.452 HG22 HD23 ' B' ' 69' ' ' LEU . 39.8 p -92.95 168.66 11.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.066 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.479 HD11 HG13 ' B' ' 70' ' ' VAL . 91.3 mt -66.32 -16.59 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.048 0.451 . . . . 10.0 111.435 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.67 -1.63 57.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.87 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.08 -15.7 58.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.01 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -64.24 111.48 2.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.932 0.396 . . . . 10.0 109.948 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -102.63 118.76 37.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.795 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.53 HG13 ' HB ' ' B' ' 5' ' ' VAL . 31.1 pt -109.47 160.08 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.826 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.8 144.6 33.21 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 tp -137.24 139.16 40.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.618 0.247 . . . . 10.0 110.702 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -106.61 98.49 8.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 m -132.29 176.03 9.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.132 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 23.4 mm-40 -118.33 158.26 47.12 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 53.4 Cg_exo -54.92 -31.36 73.19 Favored 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 122.658 2.239 . . . . 10.0 112.934 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.55 1.01 23.92 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.9 OUTLIER -75.37 137.7 41.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.606 0.241 . . . . 10.0 110.664 179.575 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.6 148.56 27.09 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.531 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.8 mm -55.72 -36.45 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.665 0.269 . . . . 10.0 111.259 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -37.61 88.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.941 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -69.56 -37.96 77.22 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.89 -44.16 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.485 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.447 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 96.5 mttt -58.89 -43.11 90.92 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.661 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.56 90.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.955 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' B' ' 32' ' ' ASP . 64.9 mttm -68.18 -32.13 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.068 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 98.9 mt -69.18 -40.07 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -67.59 -25.28 65.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.301 0.572 . . . . 10.0 109.97 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 8.0 t70 -63.46 -39.35 94.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.591 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -99.84 -43.72 6.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.916 1.08 . . . . 10.0 113.916 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -89.94 -26.23 20.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 6.83 85.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.649 -0.786 . . . . 10.0 113.179 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.8 mt -76.16 120.7 82.81 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 122.722 -0.281 . . . . 10.0 110.617 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.503 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.9 Cg_exo -59.05 134.54 60.43 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.989 2.46 . . . . 10.0 112.207 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 23.6 Cg_exo -65.38 -18.22 59.68 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.089 2.526 . . . . 10.0 112.619 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -19.25 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.996 0.427 . . . . 10.0 111.377 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' B' ' 72' ' ' ARG . 35.1 mt-30 -120.48 15.57 12.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.212 0.529 . . . . 10.0 110.676 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 42.4 mt-30 -93.56 111.4 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.499 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 37.5 ttt180 -110.1 95.82 5.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.922 0.391 . . . . 10.0 110.053 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.702 ' HB3' HD12 ' B' ' 50' ' ' LEU . 35.4 mt -83.98 121.83 27.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.691 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.3 mm -117.11 131.7 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.495 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.57 ' HB3' HD21 ' B' ' 50' ' ' LEU . 79.0 t80 -136.12 120.26 17.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.103 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.95 27.11 14.25 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.444 0.465 . . . . 10.0 111.714 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.13 -5.3 85.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.152 -0.547 . . . . 10.0 112.634 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -97.75 145.26 26.54 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.793 -0.24 . . . . 10.0 110.369 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -86.29 125.67 33.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' B' ' 43' ' ' LEU . 44.5 mt -77.0 110.54 11.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.008 0.432 . . . . 10.0 111.264 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.758 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 0.9 OUTLIER -80.04 130.38 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.621 -179.426 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.531 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 3.8 m-20 -50.45 -37.0 35.95 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.376 0.88 . . . . 10.0 113.376 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.07 11.98 51.99 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.087 -0.577 . . . . 10.0 114.423 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.758 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 3.7 mmt180 -115.9 161.74 18.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.265 0.532 . . . . 10.0 110.718 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -102.85 171.72 7.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.973 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.513 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 77.5 mt -66.77 -31.03 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.884 0.374 . . . . 10.0 110.135 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -30.18 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.128 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -64.4 -39.0 93.01 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.993 0.425 . . . . 10.0 111.177 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -92.7 2.94 56.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.742 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 60.87 49.96 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.372 0.606 . . . . 10.0 110.793 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.2 mt -93.52 121.46 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.492 ' HG2' ' H ' ' B' ' 63' ' ' LYS . 40.4 tt0 -104.96 177.05 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.6 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.492 ' H ' ' HG2' ' B' ' 62' ' ' GLN . 10.5 pttp -67.51 160.08 28.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.394 -0.225 . . . . 10.0 110.394 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.44 ' HG3' ' HE2' ' B' ' 4' ' ' PHE . 0.4 OUTLIER 66.36 11.01 7.69 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.0 m -83.74 143.51 29.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -101.63 115.02 29.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.983 0.421 . . . . 10.0 111.973 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.9 mt -93.05 147.3 22.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -103.32 122.19 44.29 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 121.031 -0.268 . . . . 10.0 110.336 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.452 HD23 HG22 ' B' ' 7' ' ' THR . 44.2 tp -101.73 99.73 10.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.061 0.458 . . . . 10.0 110.729 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 38.5 t -91.38 124.61 43.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.869 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 mp -82.21 116.73 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.397 . . . . 10.0 110.372 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' B' ' 40' ' ' GLN . 55.6 ttp180 -106.14 86.86 2.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.427 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 68.7 mt -55.72 136.42 50.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.006 0.432 . . . . 10.0 111.545 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -102.19 14.38 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.765 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.41 147.14 15.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.079 -1.058 . . . . 10.0 113.246 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.701 ' HA ' ' SG ' ' A' ' 85' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.689 -1.148 . . . . 99.989999999999995 108.468 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.74 0.305 . . . . 10.0 111.264 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -55.02 -36.14 65.16 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 ttm -53.49 -46.4 70.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.588 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.428 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 3.2 ttt180 -74.53 -32.41 62.47 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.637 -0.425 . . . . 10.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.46 -40.77 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.82 -39.69 86.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -64.7 -48.46 74.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.35 -41.07 92.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.063 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 53.6 tp -61.94 -52.58 63.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.229 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -58.94 -39.56 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.404 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.57 -47.87 82.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.524 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 101' ' ' CYS . 97.6 mt -80.38 -16.82 53.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.152 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 50.7 mm-40 -71.51 -45.96 60.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.009 0.433 . . . . 10.0 110.164 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -82.97 -26.36 31.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.328 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 60.9 mmtt -129.47 79.51 73.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.861 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -89.93 132.76 1.99 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.353 2.702 . . . . 10.0 112.343 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 35.1 Cg_endo -66.84 145.46 74.84 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.523 2.149 . . . . 10.0 111.145 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 32.9 Cg_exo -59.6 -10.18 10.87 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.364 2.709 . . . . 10.0 113.959 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -105.31 5.59 32.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.514 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 13.7 tp -140.32 112.02 7.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.022 0.439 . . . . 10.0 111.239 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -125.4 172.47 9.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.591 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 m120 61.63 22.05 12.62 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.638 0.586 . . . . 10.0 111.429 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.89 108.76 1.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.53 157.74 45.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.214 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.87 164.45 19.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.477 -0.329 . . . . 10.0 110.123 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.671 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 13.0 t70 -71.46 146.08 48.84 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.65 -28.09 67.42 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.616 0.598 . . . . 10.0 112.616 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.06 -11.67 14.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.671 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 47.9 t-20 -146.21 130.42 17.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.964 0.411 . . . . 10.0 111.441 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.97 -14.02 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.164 0.507 . . . . 10.0 110.25 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.3 mt -87.38 11.68 13.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.44 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 64.4 t -130.72 124.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.619 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 45.9 m0 -110.04 150.61 28.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.84 0.352 . . . . 10.0 111.37 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -131.81 123.59 27.9 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.53 162.03 41.41 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.882 0.372 . . . . 10.0 111.635 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 mt -107.12 121.47 44.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.983 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 21.6 tp -88.47 131.78 34.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.793 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mp -114.15 90.16 19.23 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 16.5 Cg_exo -68.95 158.34 58.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.348 2.032 . . . . 10.0 110.373 179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -109.54 -30.47 7.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.681 0.277 . . . . 10.0 111.414 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.468 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.9 tp-100 -61.58 126.61 87.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.495 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 17.5 Cg_exo -67.98 143.49 60.5 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.596 2.198 . . . . 10.0 111.249 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HB2' HD12 ' A' ' 47' ' ' LEU . 85.2 Cg_endo -98.99 24.05 20.63 Favored 'Cis proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.903 -1.29 . . . . 10.0 112.188 0.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -67.23 -18.21 65.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 10.0 111.421 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.41 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 15.6 p80 -82.54 4.84 22.89 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.714 HD22 HD21 ' A' ' 144' ' ' LEU . 2.8 mt -77.34 -31.56 54.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.165 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 65.3 mmtt -139.98 -167.25 2.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.233 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.47 159.04 37.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -124.7 139.35 53.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.691 0.281 . . . . 10.0 110.911 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -93.68 135.69 34.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.602 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 pp -122.87 152.73 40.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.151 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -118.01 114.66 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.217 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.65 HG23 HG12 ' A' ' 67' ' ' ILE . 51.7 mt -96.94 119.89 45.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.909 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -110.17 109.24 19.66 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.724 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -84.31 126.12 70.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.777 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.612 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 43.2 Cg_endo -68.96 147.45 68.05 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.282 1.988 . . . . 10.0 111.101 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.47 -22.08 70.48 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.836 2.357 . . . . 10.0 112.194 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -96.29 15.45 21.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.472 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -56.71 139.82 76.01 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -97.16 24.06 23.29 Favored 'Cis proline' 0 N--CA 1.459 -0.518 0 C-N-CA 124.306 -1.122 . . . . 10.0 113.629 0.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -71.81 -19.3 62.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.31 0.576 . . . . 10.0 109.823 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -119.69 147.38 43.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.14 -0.937 . . . . 10.0 108.986 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.08 135.67 23.4 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.381 2.054 . . . . 10.0 112.864 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.612 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 54.0 Cg_endo -71.99 123.57 9.39 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.541 2.16 . . . . 10.0 110.891 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 75.9 mtm -81.3 117.5 21.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.036 0.446 . . . . 10.0 111.193 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.65 HG12 HG23 ' A' ' 54' ' ' ILE . 56.2 mt -116.63 126.15 73.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.6 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 10.4 ptmm? -135.98 161.64 35.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -88.41 141.1 28.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.774 0.321 . . . . 10.0 110.412 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.48 -23.21 17.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.453 0.644 . . . . 10.0 109.61 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.74 152.16 22.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.895 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.679 ' HB3' ' HE2' ' A' ' 142' ' ' PHE . 40.9 mttt -78.48 118.04 20.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 10.0 111.568 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.472 HG23 HG11 ' A' ' 78' ' ' VAL . 5.1 tt -123.39 121.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.588 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.44 84.56 3.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.119 0.485 . . . . 10.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.48 ' HB3' HG23 ' A' ' 78' ' ' VAL . 42.0 t60 -128.94 137.58 31.31 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.552 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 26.0 Cg_endo -61.6 -7.04 8.15 Favored 'Trans proline' 0 N--CA 1.478 0.58 0 C-N-CA 123.026 2.484 . . . . 10.0 113.835 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -119.84 20.55 12.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.735 0.302 . . . . 10.0 110.709 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 75' ' ' HIS . 54.7 t -132.85 141.12 45.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.58 164.12 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.111 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.407 ' O ' ' HE2' ' A' ' 72' ' ' LYS . 49.8 mm-40 -55.92 -35.58 66.76 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.953 0.723 . . . . 10.0 112.953 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.42 -3.79 58.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.15 13.73 44.67 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.795 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -78.65 146.07 34.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.807 0.303 . . . . 10.0 110.366 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.49 173.48 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.965 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.83 ' SG ' ' O ' ' B' ' 75' ' ' GLY . 2.3 m -133.6 113.22 12.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.02 -0.537 . . . . 99.989999999999995 109.83 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.512 ' HB3' HG22 ' A' ' 88' ' ' ILE . 5.8 mp -119.94 115.44 33.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.062 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.88 -20.49 52.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.0 2.467 . . . . 10.0 112.243 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' A' ' 103' ' ' VAL . 19.3 tt -71.59 -30.83 40.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.484 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.5 pt -113.22 14.03 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 10.0 111.005 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.9 p -71.61 144.91 49.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.391 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -22.62 64.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.01 0.433 . . . . 10.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -88.95 4.49 47.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.807 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -165.8 47.21 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.521 0.563 . . . . 10.0 112.521 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -100.4 132.29 45.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.867 0.365 . . . . 10.0 111.086 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -123.4 123.24 26.55 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.51 -18.38 59.43 Favored 'Trans proline' 0 N--CA 1.474 0.375 0 C-N-CA 123.22 2.614 . . . . 10.0 113.032 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 -16.98 59.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.002 0.43 . . . . 10.0 111.617 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.42 135.52 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.755 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 23.4 mtpp -89.57 153.64 20.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.3 m -58.37 -29.64 66.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.598 ' HB3' HD21 ' A' ' 13' ' ' LEU . 3.7 p -62.3 -35.88 80.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.782 0.325 . . . . 10.0 111.122 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -70.21 -35.51 73.93 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.092 0.473 . . . . 10.0 110.185 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.596 ' HA ' HD13 ' A' ' 88' ' ' ILE . 48.3 t -64.9 -46.09 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.56 179.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.406 HD13 HD22 ' A' ' 21' ' ' LEU . 80.8 mt -64.58 -33.22 75.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.197 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 109' ' ' VAL . 41.5 tt0 -65.09 -49.08 71.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.524 178.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.31 84.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.236 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 111' ' ' VAL . 64.5 tp -61.11 -48.91 79.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.766 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -58.59 -40.61 83.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.67 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 105' ' ' GLU . 98.4 t -64.03 -44.4 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.431 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.29 -29.66 69.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.93 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 107' ' ' LEU . 77.6 t -74.08 -49.97 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.852 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -73.13 -33.76 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.928 0.394 . . . . 10.0 111.459 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 114' ' ' PRO . 23.3 mmm180 -115.16 93.24 34.6 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 113' ' ' ARG . 36.0 Cg_endo -64.02 144.02 86.47 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.808 2.338 . . . . 10.0 112.999 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.493 ' ND2' ' HB2' ' A' ' 118' ' ' GLU . 35.0 t30 -107.32 105.25 15.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.115 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.9 pt -86.61 -10.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.0 mtp-105 -74.39 -40.62 61.94 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.493 ' HB2' ' ND2' ' A' ' 115' ' ' ASN . 16.9 mp0 -131.51 74.14 78.73 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 178.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -92.86 159.31 2.75 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.699 2.266 . . . . 10.0 112.435 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.1 mp -91.98 -28.78 17.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 179.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.57 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 16.6 mtp180 -123.85 103.82 8.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.7 tpt -64.25 -31.92 73.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.697 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.57 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 24.4 p-10 -63.01 -48.71 77.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.166 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.468 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.9 mp -72.78 -35.06 67.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.149 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.42 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.616 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.47 -42.26 99.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.423 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.409 HD11 HD23 ' A' ' 134' ' ' LEU . 34.9 tp -56.81 -47.67 79.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.323 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.432 HD13 ' CD2' ' A' ' 135' ' ' PHE . 58.4 tp -67.24 -28.54 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.716 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.9 m -83.02 -32.35 26.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.154 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -80.99 -44.69 17.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -148.39 96.95 3.84 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.699 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.426 ' HA ' HD12 ' A' ' 128' ' ' LEU . 48.8 Cg_exo -57.6 -37.71 96.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.964 2.443 . . . . 10.0 111.971 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -67.6 -41.01 84.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.368 . . . . 10.0 111.068 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.409 HD23 HD11 ' A' ' 127' ' ' LEU . 13.6 tp -62.61 -43.59 98.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 10.0 110.223 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.552 ' CZ ' ' HD3' ' A' ' 76' ' ' PRO . 87.7 t80 -67.98 -39.02 83.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.513 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -60.47 -37.82 82.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.58 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -64.48 -48.19 76.13 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.033 0.444 . . . . 10.0 109.861 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -60.43 -42.98 97.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.252 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.5 90.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.295 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.46 -52.27 65.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.649 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -57.53 -44.62 85.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.761 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.679 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -64.02 -48.37 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.597 -179.475 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.9 m -65.45 -40.1 92.83 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.714 HD21 HD22 ' A' ' 47' ' ' LEU . 29.9 mt -73.74 -13.09 60.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.056 0.761 . . . . 10.0 113.056 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -113.42 -42.45 3.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.063 0.764 . . . . 10.0 113.063 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -101.74 -0.26 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -93.9 155.73 22.12 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.396 -0.907 . . . . 10.0 112.78 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.564 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 38.7 t -82.48 145.25 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 11.3 t0 -56.42 142.18 39.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 10.0 111.61 -178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 11.4 tpt180 -71.24 118.63 67.61 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.448 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 C--O 1.249 1.054 0 C-N-CA 122.621 2.214 . . . . 10.0 111.816 179.924 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -96.74 124.86 40.85 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.816 0.341 . . . . 10.0 111.636 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 pt -111.17 167.19 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' B' ' 66' ' ' THR . 68.8 m-85 -121.9 114.95 21.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.773 0.32 . . . . 10.0 111.082 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.565 ' HB ' HG13 ' B' ' 13' ' ' ILE . 22.0 t -100.21 114.37 38.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -105.35 132.16 51.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.973 0.416 . . . . 10.0 110.835 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.4 p -97.33 169.98 9.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.435 HD11 HG13 ' B' ' 70' ' ' VAL . 29.9 mt -71.36 -6.94 43.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.501 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.25 0.79 54.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.175 0.512 . . . . 10.0 110.903 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.76 -14.87 61.93 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.734 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -70.84 126.54 29.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.77 0.319 . . . . 10.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -114.71 130.13 56.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.086 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.565 HG13 ' HB ' ' B' ' 5' ' ' VAL . 18.9 pt -118.16 137.98 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 10.0 111.529 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.45 140.7 29.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.715 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 tp -143.48 126.69 16.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.828 0.346 . . . . 10.0 111.262 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -92.51 113.33 25.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.068 0.461 . . . . 10.0 110.34 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.71 177.19 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.537 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 25.0 mm-40 -131.1 157.91 76.71 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.878 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 78.5 Cg_exo -52.66 -32.98 57.16 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.957 2.438 . . . . 10.0 113.014 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.23 0.05 12.98 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -86.93 141.18 28.91 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.552 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.8 OUTLIER -88.7 150.5 22.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.531 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.8 mm -54.68 -38.03 41.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.69 0.281 . . . . 10.0 111.106 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 26.0 tt0 -59.81 -45.95 90.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.544 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 55.5 t30 -65.87 -35.78 81.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.378 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.83 -44.46 99.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.191 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.22 -41.45 88.66 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.827 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.02 83.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.297 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 80.6 mttt -68.44 -34.32 75.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.762 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.86 -43.04 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.854 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -63.34 -27.66 69.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.122 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.52 -46.44 72.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.861 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -86.83 -41.2 14.23 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -86.63 -67.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.875 0.369 . . . . 10.0 110.686 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.86 -14.98 5.18 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.364 -0.922 . . . . 10.0 112.946 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.3 mt -64.09 120.7 66.49 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.407 0.146 . . . . 10.0 110.992 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.4 Cg_exo -60.76 148.85 90.57 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.112 2.541 . . . . 10.0 112.193 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 36.0 Cg_exo -58.71 -27.95 84.97 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.117 2.545 . . . . 10.0 112.651 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.88 -21.62 63.31 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.516 0.674 . . . . 10.0 110.612 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.775 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 33.6 mt-30 -107.17 10.02 30.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.33 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -101.82 99.71 9.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.976 0.417 . . . . 10.0 112.119 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.693 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 55.2 ttt180 -104.97 91.25 3.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.467 ' HB3' HD12 ' B' ' 50' ' ' LEU . 44.8 mt -80.89 123.76 28.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.703 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 25.0 mm -116.02 128.17 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.956 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.867 ' HB3' HD21 ' B' ' 50' ' ' LEU . 93.4 t80 -144.91 135.88 24.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.229 -0.442 . . . . 10.0 109.991 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.45 26.83 16.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.038 0.446 . . . . 10.0 111.829 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.29 8.31 87.71 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.861 -0.685 . . . . 10.0 113.391 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.461 ' HE2' ' HD1' ' B' ' 59' ' ' TYR . 15.9 pttm -133.24 164.35 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.265 0.532 . . . . 10.0 111.674 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -83.73 150.27 25.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.867 HD21 ' HB3' ' B' ' 45' ' ' PHE . 35.4 mt -97.64 112.81 24.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.578 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.739 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 30.1 tt0 -71.75 135.88 46.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.806 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.557 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 13.0 m-20 -59.48 -24.44 63.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.739 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -86.42 -6.13 81.34 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.854 -0.689 . . . . 10.0 113.047 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.58 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 2.6 mmp_? -93.97 160.39 14.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.342 . . . . 10.0 110.442 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 80.6 p -103.3 176.81 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 178.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.878 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 46.7 mt -68.55 -26.43 65.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.217 0.532 . . . . 10.0 110.004 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -27.61 61.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.715 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.84 -31.13 71.36 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.339 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.461 ' HD1' ' HE2' ' B' ' 48' ' ' LYS . 98.4 m-85 -107.23 9.24 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.038 -0.528 . . . . 10.0 112.071 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 54.1 t30 56.05 50.76 13.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.215 0.531 . . . . 10.0 111.385 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.5 mt -88.46 123.46 40.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.528 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -100.5 -179.08 3.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.537 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -72.19 150.25 43.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.78 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 67.71 12.07 8.67 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -77.54 133.17 38.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.752 0.311 . . . . 10.0 110.487 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 8.6 m -89.74 130.08 36.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.1 mt -108.83 144.16 37.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -97.27 115.84 28.38 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.372 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 tp -100.7 105.31 16.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.164 0.506 . . . . 10.0 111.25 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.693 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 41.7 t -89.53 127.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.648 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 70.5 mt -76.9 113.65 14.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.735 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.775 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 5.3 ttp180 -91.9 91.53 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 10.0 111.203 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.0 mp -80.65 97.0 7.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.01 0.433 . . . . 10.0 110.741 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -83.8 85.56 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.948 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.83 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . 135.92 140.49 4.17 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.716 -0.754 . . . . 10.0 112.623 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.949 -1.024 . . . . 99.989999999999995 110.083 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.631 0.253 . . . . 10.0 111.269 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.409 ' O ' HG23 ' A' ' 7' ' ' VAL . 1.1 m -58.99 -32.88 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.241 0.46 . . . . 10.0 112.241 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 55.4 ttm -56.8 -43.61 81.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.262 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -69.57 -36.33 76.18 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.57 -45.59 93.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.521 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 3' ' ' SER . 53.6 t -62.45 -40.22 87.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.922 0.391 . . . . 10.0 110.212 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -66.55 -45.37 79.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.542 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.04 -38.0 89.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.212 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.23 -49.42 77.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.108 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -60.51 -41.69 94.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.905 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -60.24 -50.66 72.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.3 mt -74.03 -22.77 59.43 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -79.79 -41.54 26.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.945 0.402 . . . . 10.0 111.104 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -76.48 -30.48 57.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.403 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -130.51 75.95 78.24 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.745 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -91.58 147.95 3.41 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.3 2.667 . . . . 10.0 113.114 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.578 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 56.5 Cg_endo -73.2 151.52 49.26 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.546 2.164 . . . . 10.0 110.9 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 31.4 Cg_exo -61.47 -21.06 70.92 Favored 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 123.075 2.516 . . . . 10.0 113.243 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -95.11 8.93 41.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.578 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 17.8 tp -141.24 122.63 14.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.93 0.395 . . . . 10.0 111.004 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -135.7 169.24 17.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.611 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 64.56 21.05 12.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.309 -0.405 . . . . 10.0 112.086 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 tp -65.94 107.79 1.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.123 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.91 165.04 29.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.054 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -174.43 4.3 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.149 -0.315 . . . . 10.0 110.149 179.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 27.8 t70 -84.14 162.74 20.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.96 -31.42 72.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.162 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -135.46 16.26 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.796 0.295 . . . . 10.0 111.796 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 7.7 t-20 -144.83 139.61 27.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.097 0.475 . . . . 10.0 111.537 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.58 -17.08 6.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.352 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -89.79 5.93 43.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.126 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.508 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 79.3 t -123.9 115.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.834 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 38.1 m0 -101.08 145.55 28.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.018 0.437 . . . . 10.0 111.141 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -126.95 126.05 42.56 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.661 -0.866 . . . . 10.0 108.661 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.41 160.45 41.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.88 0.371 . . . . 10.0 111.812 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.8 mt -107.14 120.11 41.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.599 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -90.88 134.1 34.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.758 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.94 92.18 29.5 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.343 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.57 152.2 82.49 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.521 2.148 . . . . 10.0 111.824 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -98.93 -35.16 10.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.062 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 6.0 tp-100 -65.81 125.61 90.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.31 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 23.4 Cg_exo -67.43 150.18 80.6 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.729 2.286 . . . . 10.0 110.608 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -92.85 16.04 44.62 Favored 'Cis proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.678 -1.384 . . . . 10.0 112.22 0.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -65.18 -21.47 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.178 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -73.0 -4.84 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -80.57 -27.23 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.633 0.254 . . . . 10.0 111.198 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.685 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 43.0 mmtt -136.89 -168.5 2.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.144 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.94 161.58 31.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.94 136.67 49.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.627 -0.261 . . . . 10.0 110.82 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -91.01 132.61 35.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.835 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -118.84 151.36 38.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.296 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.46 114.46 22.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.894 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.834 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 54.7 mt -95.81 117.35 39.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.9 111.3 23.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.233 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.467 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 86.0 m-85 -89.52 129.1 48.35 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.269 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.542 ' HG2' ' HB3' ' A' ' 63' ' ' LYS . 3.0 Cg_exo -78.17 151.35 26.74 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.831 2.354 . . . . 10.0 110.912 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.89 -18.77 62.92 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.664 2.243 . . . . 10.0 112.794 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.45 16.65 8.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.784 0.326 . . . . 10.0 111.484 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.582 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 15.8 t80 -61.91 142.27 95.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.582 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 66.1 Cg_endo -96.16 21.67 28.42 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 124.263 -1.14 . . . . 10.0 113.16 0.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -75.65 -19.48 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.448 0.642 . . . . 10.0 109.791 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.542 ' HB3' ' HG2' ' A' ' 57' ' ' PRO . 4.7 mmtm -113.86 136.31 22.09 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.277 -0.874 . . . . 10.0 109.34 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 57.0 Cg_endo -71.85 136.17 27.12 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.86 2.374 . . . . 10.0 112.865 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 48.0 Cg_endo -70.33 128.05 14.98 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.692 2.261 . . . . 10.0 111.411 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.7 mtm -84.81 109.3 17.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.78 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.676 HG12 HG23 ' A' ' 54' ' ' ILE . 50.6 mt -107.13 123.61 62.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.115 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 5.7 ptmm? -132.85 157.73 44.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.11 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -85.11 130.8 34.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.88 -33.72 24.73 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.201 -0.454 . . . . 10.0 109.956 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.08 148.49 22.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.43 -0.805 . . . . 10.0 109.961 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 146' ' ' PHE . 36.0 mtpt -72.69 121.68 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 10.0 111.408 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.5 tt -125.72 127.21 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.743 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.511 ' CZ ' HD11 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -82.74 84.35 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.043 0.449 . . . . 10.0 110.52 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' HB3' HG23 ' A' ' 78' ' ' VAL . 40.2 t60 -131.65 132.4 23.37 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 18.1 Cg_endo -58.23 -13.28 15.59 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.108 2.539 . . . . 10.0 114.025 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -105.38 3.93 30.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.368 0.604 . . . . 10.0 110.808 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 84' ' ' ILE . 21.4 t -125.34 144.32 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.164 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -94.55 168.4 10.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.001 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.79 -31.15 70.53 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.402 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 16.9 t-20 -75.18 -29.79 60.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.183 0.516 . . . . 10.0 110.676 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.32 13.17 7.71 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.344 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -86.96 153.87 21.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.84 0.352 . . . . 10.0 110.544 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.53 HG22 HG22 ' A' ' 78' ' ' VAL . 15.8 pt -133.71 -167.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.723 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 4.5 m -140.63 91.41 2.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.074 -0.512 . . . . 99.989999999999995 109.888 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.433 ' CB ' HG12 ' A' ' 89' ' ' ILE . 11.5 mt -103.14 107.93 57.08 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -58.18 -22.95 59.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.632 2.221 . . . . 10.0 111.859 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.502 HG23 HG23 ' A' ' 89' ' ' ILE . 21.3 tt -72.32 -29.62 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.772 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.502 HG23 HG23 ' A' ' 88' ' ' ILE . 47.2 pt -106.97 17.55 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 121.107 0.48 . . . . 10.0 111.263 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.0 p -78.97 144.61 34.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.014 -0.736 . . . . 10.0 109.014 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.87 0.22 6.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.942 0.401 . . . . 10.0 111.734 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -93.48 -32.45 14.18 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.609 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -134.22 33.07 3.37 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.036 0.754 . . . . 10.0 113.036 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -79.84 133.85 36.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.249 0.547 . . . . 10.0 111.279 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 3.3 mppt? -120.33 122.86 28.52 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.759 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 32.0 Cg_exo -60.88 -18.44 56.81 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.953 2.435 . . . . 10.0 112.575 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 2.9 p -82.12 -0.1 43.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.521 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -87.69 130.49 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.828 0.346 . . . . 10.0 110.166 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -93.73 156.14 16.85 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.7 m -57.24 -29.48 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 10.0 111.693 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.54 -40.45 83.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.01 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.6 -35.01 67.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 10.0 110.328 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -65.38 -44.67 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.143 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.54 -36.05 82.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.825 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 109' ' ' VAL . 28.9 tt0 -65.67 -44.94 84.75 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.59 84.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.391 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 111' ' ' VAL . 62.4 tp -62.65 -45.68 91.71 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.517 179.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.45 -38.16 76.95 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.041 0.448 . . . . 10.0 110.181 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 105' ' ' GLU . 99.5 t -62.99 -45.76 98.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.329 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.47 -28.86 68.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.91 0.386 . . . . 10.0 111.613 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 107' ' ' LEU . 74.9 t -72.65 -51.5 27.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.526 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.48 -32.53 68.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.03 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 113' ' ' ARG . 15.0 mmm180 -115.18 92.5 31.84 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.064 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.61 110.36 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.681 2.254 . . . . 10.0 111.918 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -68.45 108.41 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.726 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 pt -88.28 -8.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.495 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -74.36 -55.16 6.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -127.01 79.25 73.22 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.999 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -97.67 171.07 0.73 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.978 2.452 . . . . 10.0 112.041 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.5 mp -92.05 -33.65 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.593 0.711 . . . . 10.0 109.115 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.548 ' HD3' HD22 ' A' ' 124' ' ' LEU . 16.0 mtp180 -112.77 94.91 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.753 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.449 ' HB2' HG21 ' B' ' 9' ' ' THR . 96.0 mtp -62.96 -27.54 69.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.057 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.41 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 20.0 p-10 -67.92 -45.44 74.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.709 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.66 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.7 mp -71.24 -38.31 71.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.784 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.8 86.86 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.364 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 37.5 t70 -67.18 -40.1 86.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.915 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.5 tp -57.03 -45.6 83.01 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 10.0 110.25 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 132' ' ' PRO . 58.2 tp -66.73 -26.08 66.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.788 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.1 m -78.72 -39.52 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.487 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 73.6 mm-40 -75.85 -53.12 8.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.405 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -145.95 101.19 4.21 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.502 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 128' ' ' LEU . 38.5 Cg_exo -62.64 -35.39 70.16 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 123.062 2.508 . . . . 10.0 112.265 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -66.95 -40.92 87.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.961 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.66 -42.2 98.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.198 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.66 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 56.9 t80 -69.52 -38.38 77.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.74 -0.663 . . . . 10.0 110.01 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -58.23 -41.52 84.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.338 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -62.73 -46.14 89.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 10.0 110.906 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -63.34 -47.68 81.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.56 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.37 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.35 -51.4 68.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.461 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.19 -43.65 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.403 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.46 -43.2 97.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.576 HG22 ' HB2' ' A' ' 48' ' ' LYS . 32.2 m -65.87 -43.25 88.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.648 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 29.2 mt -83.21 8.81 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -125.62 -49.8 1.63 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.447 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 94.3 m-85 -97.31 -22.34 16.71 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.314 0.486 . . . . 10.0 112.314 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -77.5 172.16 55.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.96 -0.638 . . . . 10.0 113.062 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.595 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 3.1 t -96.25 158.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.685 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 2.4 t0 -63.11 155.84 26.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.029 0.442 . . . . 10.0 111.758 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 8.0 tpt180 -91.67 116.35 66.29 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.361 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 C--O 1.251 1.15 0 C-N-CA 122.624 2.216 . . . . 10.0 111.797 179.903 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.653 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 12.4 ptt? . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -85.22 118.75 24.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.785 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -126.07 168.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -126.71 131.73 51.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 10.0 111.713 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.55 123.29 67.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -107.63 131.86 53.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.894 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.453 HG22 HD23 ' B' ' 69' ' ' LEU . 16.7 p -91.69 173.28 7.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.459 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.6 -18.45 65.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.641 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 122' ' ' MET . 0.2 OUTLIER -89.88 -4.78 57.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.852 0.358 . . . . 10.0 111.258 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.85 -13.92 65.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.821 -0.704 . . . . 10.0 112.423 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -60.85 110.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.24 129.84 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.768 0.318 . . . . 10.0 110.805 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.2 pt -121.54 144.75 29.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.773 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -91.04 142.81 27.37 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -137.02 138.69 40.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.499 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -107.78 98.87 8.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 10.0 109.961 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.653 ' O ' ' HG2' ' B' ' 1' ' ' MET . 4.5 m -139.12 153.6 24.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.421 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 31.1 mm-40 -99.86 159.67 29.31 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.83 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 55.4 Cg_exo -55.26 -26.31 51.31 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.513 2.142 . . . . 10.0 112.245 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -3.17 41.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.84 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.5 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -78.63 130.33 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.301 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.73 150.62 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.167 -0.469 . . . . 10.0 109.928 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 45.2 mm -57.81 -38.75 67.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 10.0 110.655 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.567 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 27.1 tt0 -64.01 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.006 0.431 . . . . 10.0 110.02 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -67.13 -35.49 79.84 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.415 ' O ' HG13 ' B' ' 30' ' ' ILE . 75.0 t -64.56 -48.22 85.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.238 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.26 -44.81 80.08 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.46 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.66 80.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.129 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -74.08 -28.8 61.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.007 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 26' ' ' VAL . 95.4 mt -70.05 -39.39 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -70.11 -21.41 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.064 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.98 -42.01 70.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.599 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.479 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 0.2 OUTLIER -88.55 -52.27 5.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.781 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -82.12 -57.73 3.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.771 0.32 . . . . 10.0 111.386 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.73 -0.02 19.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.516 -0.849 . . . . 10.0 112.723 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -70.13 124.28 90.43 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.547 -0.168 . . . . 10.0 110.547 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.38 132.38 48.39 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.015 2.477 . . . . 10.0 111.896 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.29 -28.69 73.09 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.433 2.755 . . . . 10.0 112.992 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.63 -22.36 64.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.233 0.54 . . . . 10.0 110.716 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -105.13 6.56 33.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.636 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -97.29 107.64 20.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.695 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.626 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 74.7 ttt180 -107.76 96.79 6.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 177.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.687 ' HB3' HD12 ' B' ' 50' ' ' LEU . 35.2 mt -83.27 119.34 24.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.91 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.4 mm -114.77 131.15 67.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.961 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.664 ' HB3' HD21 ' B' ' 50' ' ' LEU . 83.8 t80 -149.88 136.96 19.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.927 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.64 31.27 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.695 0.622 . . . . 10.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.02 8.69 78.94 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.491 -0.777 . . . . 10.0 113.359 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -123.61 170.21 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.882 0.372 . . . . 10.0 111.026 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -98.16 132.44 43.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.082 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.687 HD12 ' HB3' ' B' ' 43' ' ' LEU . 60.2 mt -79.29 109.42 13.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.502 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -74.31 130.38 39.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.567 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 5.3 m-20 -52.19 -33.32 40.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.63 -10.28 85.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 10.0 113.744 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -96.0 165.52 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.987 0.393 . . . . 10.0 111.439 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 10.5 p -108.37 173.75 6.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.042 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.83 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 50.0 mt -64.67 -30.71 71.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 10.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -28.42 68.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.197 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -64.72 -26.71 68.48 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.659 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.04 10.45 24.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.661 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 65.7 t30 60.12 37.57 20.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.183 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.589 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 61.2 mt -79.15 127.45 39.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.519 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -118.18 -169.99 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.468 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 9.3 pttp -74.42 157.12 36.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.289 -0.264 . . . . 10.0 110.289 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 68.82 11.87 8.47 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.856 0.687 . . . . 10.0 112.856 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.5 m -81.07 146.68 30.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.652 0.263 . . . . 10.0 110.657 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.41 116.85 32.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.156 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.5 mt -94.64 146.53 24.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.359 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -100.9 117.17 34.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.453 HD23 HG22 ' B' ' 7' ' ' THR . 40.6 tp -101.49 101.27 11.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.08 0.466 . . . . 10.0 111.408 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.626 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 43.1 t -91.93 122.26 43.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.492 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.36 113.61 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.969 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -106.41 102.28 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.299 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.51 158.21 31.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.968 0.413 . . . . 10.0 111.33 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 42.9 mtp85 -99.74 32.2 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.371 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.61 137.99 2.31 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.094 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.254 1.3 0 CA-C-O 118.115 -0.945 . . . . 99.989999999999995 109.655 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 6' ' ' VAL . . . . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.555 0.217 . . . . 10.0 111.408 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -58.34 -31.77 67.9 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.999 -179.239 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.8 ttm -55.87 -44.67 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.365 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -74.73 -37.13 62.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.246 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 2' ' ' ALA . 76.2 t -58.09 -47.14 87.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.777 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 3' ' ' SER . 48.1 t -62.79 -37.78 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.115 0.483 . . . . 10.0 110.107 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -64.65 -49.34 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.241 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.498 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.5 mt-10 -60.08 -35.53 75.39 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.052 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.3 tp -63.02 -50.1 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.395 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.43 -43.14 99.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.817 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -57.09 -46.58 82.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.355 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.9 mt -84.33 -16.78 41.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -39.68 23.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.893 0.378 . . . . 10.0 110.875 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -80.57 -27.95 37.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.689 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -134.67 77.66 57.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.842 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -87.9 148.54 7.02 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.928 2.419 . . . . 10.0 113.105 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.11 158.45 30.33 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.559 2.173 . . . . 10.0 110.468 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.72 -29.43 59.78 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.727 2.284 . . . . 10.0 112.893 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -82.6 1.34 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.525 HD22 HD13 ' A' ' 104' ' ' LEU . 12.2 tp -134.56 122.96 23.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.651 0.262 . . . . 10.0 110.699 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -131.26 154.08 48.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.894 0.378 . . . . 10.0 111.888 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.7 t30 59.72 38.71 21.61 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.341 -0.845 . . . . 10.0 112.629 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.5 tp -72.11 106.72 4.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.721 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -136.17 154.36 50.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 m -78.56 174.51 11.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.708 0.29 . . . . 10.0 110.408 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.565 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 21.4 t70 -71.57 158.18 36.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.3 -39.51 83.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.976 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.9 -6.54 9.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.538 0.94 . . . . 10.0 113.538 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.536 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 49.3 t30 -132.54 120.39 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.04 0.448 . . . . 10.0 111.978 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -75.55 -14.27 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.659 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.5 mt -83.04 5.28 22.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.217 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 93.0 t -125.98 125.64 68.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.558 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 45.6 m0 -111.67 145.83 38.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.995 0.426 . . . . 10.0 111.659 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -127.32 124.86 39.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.66 161.71 42.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.965 0.412 . . . . 10.0 111.66 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.96 120.98 43.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.978 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.2 tp -92.25 133.18 36.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.433 HD21 ' HD2' ' A' ' 151' ' ' PRO . 5.1 mp -121.39 93.25 48.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.325 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.04 170.2 20.19 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.717 2.278 . . . . 10.0 110.446 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.67 ' HA ' ' HB3' ' A' ' 46' ' ' HIS . 35.8 t0 -122.11 -0.43 9.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.185 0.517 . . . . 10.0 111.687 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.51 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 4.9 tp-100 -81.32 120.32 78.03 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.51 ' HD2' ' OE1' ' A' ' 42' ' ' GLN . 35.7 Cg_exo -60.2 138.77 83.54 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.439 2.093 . . . . 10.0 111.163 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 94.2 Cg_endo -100.17 18.19 22.91 Favored 'Cis proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.949 -1.271 . . . . 10.0 112.4 -0.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -62.8 -22.38 66.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.667 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.67 ' HB3' ' HA ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -81.02 4.39 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 -179.581 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.1 mt -81.25 -29.57 34.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.811 0.339 . . . . 10.0 110.446 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.618 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 59.6 mmtt -135.27 -164.14 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.264 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.02 158.91 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.628 0.252 . . . . 10.0 110.485 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -125.91 126.18 43.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.072 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -84.1 135.17 34.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.115 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 pp -120.11 152.07 38.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.352 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.4 ttt-85 -122.35 112.9 18.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.972 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.658 HG23 HG12 ' A' ' 67' ' ' ILE . 37.8 mt -97.4 124.47 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.015 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 m -114.65 115.66 27.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.783 0.325 . . . . 10.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -92.9 130.91 34.81 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.07 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 90.6 Cg_endo -81.47 160.42 19.66 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.681 2.254 . . . . 10.0 111.738 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 -3.99 14.26 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.578 2.185 . . . . 10.0 111.145 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -101.66 14.29 32.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.801 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.523 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 17.1 t80 -69.65 143.84 93.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.859 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 91.5 Cg_endo -96.94 21.13 28.16 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.976 -1.26 . . . . 10.0 112.415 -0.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -70.88 -29.66 65.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.076 0.465 . . . . 10.0 109.914 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 5.0 mmmm -111.54 142.79 27.23 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.854 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.5 139.95 38.79 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.779 2.319 . . . . 10.0 112.895 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 66.3 Cg_endo -76.62 143.25 23.94 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.559 2.173 . . . . 10.0 110.972 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.8 mtm -96.31 122.27 39.0 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.98 0.419 . . . . 10.0 111.204 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.658 HG12 HG23 ' A' ' 54' ' ' ILE . 46.2 mt -112.45 131.14 64.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.876 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -130.7 156.82 44.29 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -92.27 127.14 37.64 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -23.7 31.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.0 m -98.38 143.66 28.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.069 -0.969 . . . . 10.0 109.943 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 142' ' ' PHE . 22.9 mmtt -78.26 115.84 18.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.976 0.417 . . . . 10.0 110.856 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.553 HG12 ' HB2' ' A' ' 75' ' ' HIS . 7.1 tt -119.03 127.8 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.517 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -79.6 69.28 5.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.467 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.553 ' HB2' HG12 ' A' ' 73' ' ' ILE . 7.0 t-80 -116.45 131.18 23.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.789 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.561 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 34.0 Cg_endo -64.84 -4.38 8.59 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.113 2.542 . . . . 10.0 113.789 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -118.07 14.67 14.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.501 0.667 . . . . 10.0 110.364 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 84' ' ' ILE . 88.2 t -130.73 138.22 54.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.588 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.89 157.41 26.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.525 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 3.4 pt-20 -58.8 -29.89 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.118 0.784 . . . . 10.0 113.118 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -78.47 -27.57 46.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.302 0.573 . . . . 10.0 110.2 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.4 13.11 6.45 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.719 -0.753 . . . . 10.0 112.619 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -84.58 142.98 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 10.0 110.376 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.527 HD12 HD13 ' A' ' 86' ' ' LEU . 14.7 pt -128.71 164.7 30.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.406 ' HB2' HD11 ' A' ' 120' ' ' LEU . 1.2 m -130.5 88.2 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.44 0.638 . . . . 99.989999999999995 111.088 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 110' ' ' LEU . 8.4 mp -95.29 124.52 53.32 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.379 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 40.1 Cg_exo -59.07 -28.64 88.39 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.973 2.449 . . . . 10.0 112.18 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.5 tt -67.03 -30.31 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 116.149 -0.478 . . . . 10.0 112.208 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.2 pt -117.64 27.23 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.129 0.49 . . . . 10.0 110.512 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 92' ' ' GLU . 80.9 p -74.94 157.46 34.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.791 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -80.08 32.79 0.27 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.28 0.562 . . . . 10.0 110.311 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 90' ' ' SER . 9.8 tm-20 -140.64 -56.73 0.52 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.611 -179.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.73 35.95 2.19 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -75.86 134.35 40.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 10.0 110.7 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.502 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 17.6 mtpp -121.25 110.25 34.5 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.367 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.15 -11.82 29.48 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.088 2.525 . . . . 10.0 112.413 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -80.89 -14.18 58.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.244 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -88.45 151.85 22.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.481 -179.823 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.498 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 60.8 mtpt -111.36 170.67 7.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 10.0 109.987 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.0 m -60.13 -27.84 67.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.215 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -49.06 75.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.798 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.434 ' HB2' HG22 ' A' ' 98' ' ' THR . 7.3 mp0 -70.7 -30.62 67.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.027 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.99 -47.79 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.854 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.525 HD13 HD22 ' A' ' 21' ' ' LEU . 73.8 mt -63.73 -33.64 76.09 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.178 0.513 . . . . 10.0 109.974 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 109' ' ' VAL . 19.1 tt0 -63.82 -49.24 73.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.47 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.77 97.41 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.37 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 tp -58.7 -47.41 84.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.983 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -58.81 -41.92 87.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.833 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 105' ' ' GLU . 95.0 t -63.44 -48.2 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.697 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 86' ' ' LEU . 62.1 mt -64.45 -29.15 70.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.734 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.444 ' HA ' ' CE1' ' A' ' 75' ' ' HIS . 54.9 t -75.14 -43.94 43.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 110.243 -0.28 . . . . 10.0 110.243 178.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.452 ' O ' ' HD3' ' A' ' 114' ' ' PRO . 37.7 m-80 -72.08 -37.78 69.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.099 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -108.57 96.75 20.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 112' ' ' ASN . 20.1 Cg_exo -66.32 108.93 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.873 2.382 . . . . 10.0 112.753 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -73.41 109.71 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.411 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 24.3 pt -89.18 -6.95 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.465 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 117' ' ' ARG . 43.9 mtp180 -75.81 -57.03 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -120.52 78.63 28.74 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.431 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -97.46 169.14 0.82 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.851 2.367 . . . . 10.0 112.702 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.2 mp -100.11 -14.11 18.71 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.558 ' HD3' HD22 ' A' ' 124' ' ' LEU . 7.1 mtp85 -129.29 95.19 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.283 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -61.33 -32.89 72.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -66.17 -48.3 71.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.507 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.558 HD22 ' HD3' ' A' ' 121' ' ' ARG . 8.1 mp -68.52 -37.53 80.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.189 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.96 79.83 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.281 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -65.79 -38.08 88.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.375 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.596 HD11 HD23 ' A' ' 134' ' ' LEU . 46.7 tp -59.91 -47.47 85.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.23 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 132' ' ' PRO . 58.4 tp -62.15 -38.14 87.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.009 0.433 . . . . 10.0 111.039 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.7 m -72.07 -19.08 61.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.444 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -94.9 -50.53 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.693 0.282 . . . . 10.0 111.165 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -144.83 102.79 4.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.125 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.468 ' HA ' HD12 ' A' ' 128' ' ' LEU . 26.9 Cg_exo -63.18 -36.65 56.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.977 2.451 . . . . 10.0 112.403 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.644 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 31.9 tp10 -68.87 -43.82 74.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.046 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.596 HD23 HD11 ' A' ' 127' ' ' LEU . 33.0 tp -60.02 -43.82 95.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.993 0.425 . . . . 10.0 110.32 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.561 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 87.0 t80 -66.06 -41.66 90.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.812 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -60.18 -40.7 90.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.525 -0.762 . . . . 10.0 110.958 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.644 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 66.3 mttm -60.84 -47.52 85.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.129 0.49 . . . . 10.0 110.402 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -62.59 -45.64 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.796 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.326 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.57 -48.76 80.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.069 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -60.18 -44.13 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.706 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.439 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 4.3 t80 -65.52 -45.05 85.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.27 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.412 HG22 ' HB2' ' A' ' 48' ' ' LYS . 26.2 m -64.04 -38.16 90.05 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.8 -5.32 57.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -114.64 -42.9 3.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.427 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 96.6 m-85 -107.71 6.35 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -100.59 151.89 19.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 10.0 112.776 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 20.1 t -76.52 152.39 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.618 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 28.3 t0 -56.83 156.03 7.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.35 . . . . 10.0 111.849 -179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.457 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 13.3 tpt180 -91.41 109.02 33.17 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.912 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 149' ' ' ASP . 85.0 Cg_endo . . . . . 0 C--O 1.252 1.219 0 C-N-CA 123.157 2.571 . . . . 10.0 111.623 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 24.0 ptt? . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 121.116 0.484 . . . . 10.0 110.734 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -85.79 129.04 34.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.551 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -125.51 169.48 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.37 123.05 42.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.883 0.373 . . . . 10.0 110.976 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.77 107.97 24.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -101.64 129.15 47.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.08 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -97.92 170.1 9.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.348 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.777 HD11 HG13 ' B' ' 70' ' ' VAL . 90.9 mt -66.62 -17.31 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.531 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.78 4.08 50.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.14 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.53 11.31 85.42 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.915 -0.66 . . . . 10.0 112.556 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -86.04 82.9 7.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 10.0 110.05 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -79.24 113.96 17.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.159 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 pt -111.33 151.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.977 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.5 142.76 27.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.189 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 tp -138.54 140.32 39.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.781 0.324 . . . . 10.0 110.641 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.1 105.82 16.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.692 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.3 m -131.49 167.85 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.743 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 57.5 mm-40 -112.85 158.61 37.2 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -58.8 -23.31 66.26 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.196 1.931 . . . . 10.0 111.718 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.22 8.7 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.348 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.607 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -80.61 131.58 35.52 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.738 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.51 149.68 25.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -55.66 -40.91 62.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.678 0.275 . . . . 10.0 111.336 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -61.1 -36.03 78.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.1 0.476 . . . . 10.0 110.626 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.7 -39.31 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.68 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.45 -40.39 86.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.683 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -59.42 -42.13 91.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.818 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.91 85.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.285 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -66.4 -38.1 86.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.688 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.15 -37.65 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.265 -0.642 . . . . 10.0 109.265 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -66.79 -37.15 84.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.756 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.67 -35.95 81.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.305 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.42 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 31.9 mtpt -86.54 -63.6 1.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.742 0.645 . . . . 10.0 112.742 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.33 -47.32 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.815 0.672 . . . . 10.0 112.815 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.15 13.32 19.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.548 -0.834 . . . . 10.0 112.421 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -77.32 125.47 86.33 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 66.4 Cg_exo -53.27 134.32 56.32 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.92 2.414 . . . . 10.0 111.668 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.9 Cg_exo -55.71 -30.42 75.61 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.434 2.756 . . . . 10.0 113.613 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.39 -25.71 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -93.11 4.05 54.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.317 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -91.05 104.06 16.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.14 0.495 . . . . 10.0 111.648 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.485 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 47.1 ttt180 -105.48 90.32 3.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.419 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.57 ' HB3' HD12 ' B' ' 50' ' ' LEU . 36.8 mt -84.73 120.54 26.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.09 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -119.31 130.47 73.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.208 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.488 ' HB3' HD21 ' B' ' 50' ' ' LEU . 84.2 t80 -139.8 127.05 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.47 33.64 23.55 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.63 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.2 7.4 84.63 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.818 -0.628 . . . . 10.0 113.118 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm -118.05 142.56 47.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -85.41 132.78 34.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.051 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' B' ' 43' ' ' LEU . 37.3 mt -80.75 109.71 15.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.431 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.27 135.92 40.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.753 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.08 -44.33 41.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.093 0.775 . . . . 10.0 113.093 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.39 35.73 3.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 10.0 114.064 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.411 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 5.3 mmp_? -129.08 160.81 31.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.827 0.314 . . . . 10.0 110.416 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.45 159.84 15.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.204 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.422 HD12 ' O ' ' B' ' 18' ' ' GLU . 78.6 mt -60.6 -29.53 69.26 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.095 0.474 . . . . 10.0 111.089 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -28.69 69.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.412 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.57 -38.09 89.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.446 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.405 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.9 m-85 -96.89 6.78 48.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.249 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.2 t30 60.37 35.63 20.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.245 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 73.1 mt -75.24 116.58 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.262 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -105.4 -165.6 1.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.353 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.426 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 0.0 OUTLIER -76.56 153.78 35.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.728 0.299 . . . . 10.0 110.917 179.294 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.16 16.3 10.39 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.802 0.667 . . . . 10.0 112.802 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.6 m -76.53 142.2 40.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.375 -0.231 . . . . 10.0 110.375 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.23 104.62 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.188 0.518 . . . . 10.0 111.252 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 78.4 mt -87.27 139.81 30.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.905 -0.588 . . . . 10.0 109.643 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -100.76 108.54 20.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 44.4 tp -93.57 100.85 13.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.392 0.615 . . . . 10.0 111.264 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.777 HG13 HD11 ' B' ' 8' ' ' LEU . 41.5 t -91.58 134.38 30.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.54 -0.911 . . . . 10.0 108.54 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.6 mp -99.64 132.74 44.78 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 121.003 -0.279 . . . . 10.0 110.66 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -111.31 132.86 54.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.002 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' B' ' 73' ' ' LEU . 7.1 tp -81.82 128.13 33.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.983 0.421 . . . . 10.0 109.927 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -109.78 84.69 1.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.225 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 145.2 60.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.471 -0.871 . . . . 10.0 112.975 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' CYS . . . . . 0.407 ' SG ' HD23 ' B' ' 73' ' ' LEU . 77.5 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.864 -0.589 . . . . 99.989999999999995 110.423 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.667 0.27 . . . . 10.0 111.224 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.95 -23.45 65.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.234 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.8 mmm -53.19 -48.6 67.92 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.485 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.432 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 5.6 ttp180 -66.05 -40.16 90.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.32 . . . . 10.0 110.254 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.24 -43.86 86.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.017 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.5 t -63.79 -41.09 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.969 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -64.3 -48.52 75.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.757 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.656 ' HG2' ' HE2' ' A' ' 99' ' ' LYS . 47.4 mt-10 -58.21 -41.95 85.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.636 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.4 tp -67.09 -46.27 74.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.237 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.79 -37.39 76.22 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.412 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -72.67 -46.27 54.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.059 0.457 . . . . 10.0 110.817 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' A' ' 101' ' ' CYS . 39.5 mt -67.84 -28.86 67.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 25' ' ' SER . 81.0 mt-30 -77.58 -6.16 52.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -102.35 -34.59 9.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 10.0 110.74 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 65.7 mmtt -135.62 71.18 65.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.217 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 96.9 Cg_endo -79.23 141.06 15.96 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.424 2.083 . . . . 10.0 112.401 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 37.8 Cg_exo -62.92 154.33 67.34 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.945 2.43 . . . . 10.0 111.139 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.25 -11.39 25.13 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.838 2.359 . . . . 10.0 113.215 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -108.48 7.96 27.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.77 0.285 . . . . 10.0 111.77 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 tp -135.5 105.5 6.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.904 0.383 . . . . 10.0 110.652 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.67 164.32 20.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.395 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.7 37.79 18.81 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.529 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 48.2 tp -84.86 116.1 23.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.035 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.426 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 41.3 m -153.69 166.38 33.0 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.475 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.41 162.39 25.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.622 0.249 . . . . 10.0 110.399 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.34 149.91 47.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.087 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -55.71 -29.44 59.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.641 0.608 . . . . 10.0 112.641 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.0 30.34 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.93 0.344 . . . . 10.0 111.93 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -162.04 120.68 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.053 0.454 . . . . 10.0 111.838 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.91 -14.13 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.32 0.581 . . . . 10.0 110.617 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.53 6.75 44.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.966 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.23 118.75 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.101 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.64 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 40.5 m0 -98.75 143.66 28.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.978 0.418 . . . . 10.0 111.392 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.455 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 21.3 m-70 -121.96 125.96 47.52 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.423 -0.955 . . . . 10.0 108.423 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.15 158.93 41.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.911 0.386 . . . . 10.0 111.666 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.5 mt -110.63 117.81 34.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.509 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 25.5 tp -86.31 132.0 34.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.016 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.6 88.08 12.96 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 14.7 Cg_exo -70.26 145.95 55.73 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.282 1.988 . . . . 10.0 110.456 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -96.41 -25.39 15.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.108 0.48 . . . . 10.0 110.549 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.502 ' HG3' ' HD2' ' A' ' 43' ' ' PRO . 3.0 tp-100 -61.89 138.22 95.52 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.441 -0.799 . . . . 10.0 111.274 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HD2' ' HG3' ' A' ' 42' ' ' GLN . 70.0 Cg_endo -76.67 142.29 22.83 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.621 2.214 . . . . 10.0 111.378 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 91.2 Cg_endo -100.07 20.92 21.54 Favored 'Cis proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.951 -1.27 . . . . 10.0 111.758 -0.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -66.13 -13.6 60.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.969 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.445 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 25.4 p80 -78.16 -3.72 43.93 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.23 -25.08 34.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.903 0.382 . . . . 10.0 111.426 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HB2' HG22 ' A' ' 143' ' ' THR . 71.9 mmtt -136.38 -170.66 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.677 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.98 156.55 43.61 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -123.88 126.49 46.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.774 0.321 . . . . 10.0 110.66 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -83.66 134.48 34.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.501 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.01 146.59 47.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.683 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 53' ' ' ARG . 22.7 ttt-85 -116.77 114.8 24.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.645 HG23 HG12 ' A' ' 67' ' ' ILE . 38.3 mt -96.36 118.4 42.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.37 112.22 25.18 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.037 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.45 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 65.5 m-85 -87.64 128.47 54.45 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.655 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 6.5 Cg_exo -75.37 152.36 39.0 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.69 2.26 . . . . 10.0 110.851 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.23 -15.33 48.92 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.507 2.138 . . . . 10.0 112.561 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -99.95 24.12 8.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.628 -0.26 . . . . 10.0 111.574 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.44 ' HE1' ' HD3' ' A' ' 65' ' ' PRO . 10.7 t80 -63.49 142.92 97.94 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.404 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . 67.8 Cg_endo -97.34 20.27 28.39 Favored 'Cis proline' 0 N--CA 1.459 -0.534 0 C-N-CA 124.151 -1.187 . . . . 10.0 112.808 0.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -70.27 -29.27 65.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.291 0.567 . . . . 10.0 109.573 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -107.13 133.46 20.3 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.641 178.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 41.0 Cg_endo -67.93 139.85 48.55 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.825 2.35 . . . . 10.0 113.113 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.494 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 55.0 Cg_endo -71.7 124.82 10.55 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.756 2.304 . . . . 10.0 111.422 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 36.0 mtm -81.77 112.75 19.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.545 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 54' ' ' ILE . 53.8 mt -104.12 131.66 52.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.727 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -135.81 160.85 37.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.27 134.22 34.76 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.711 -0.395 . . . . 10.0 110.672 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -81.26 -39.89 24.59 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.06 -164.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.893 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 146' ' ' PHE . 26.7 mmtm -121.16 118.84 30.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.777 0.322 . . . . 10.0 110.744 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.455 HG12 ' HB2' ' A' ' 75' ' ' HIS . 6.6 tt -116.71 122.33 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.442 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -80.22 74.69 7.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.117 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' HB2' HG12 ' A' ' 73' ' ' ILE . 7.9 t-80 -126.08 137.55 30.39 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.063 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 27.6 Cg_endo -62.78 -6.07 8.51 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.01 2.473 . . . . 10.0 113.775 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.623 HD21 ' HB3' ' A' ' 115' ' ' ASN . 18.8 m120 -110.52 10.99 23.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.046 0.451 . . . . 10.0 111.087 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -130.68 145.11 36.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -86.09 172.53 10.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.574 0.226 . . . . 10.0 111.316 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.35 -25.12 67.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.594 0.591 . . . . 10.0 112.594 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.442 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 4.2 m120 -84.49 -48.74 9.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.149 0.5 . . . . 10.0 110.298 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.79 20.55 0.32 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.238 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.74 154.65 20.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.794 0.33 . . . . 10.0 110.519 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 86' ' ' LEU . 13.4 pt -137.37 164.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.766 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.779 ' HB2' HD11 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -124.03 87.42 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.801 -0.636 . . . . 99.99 110.104 179.026 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.666 HD13 HD12 ' A' ' 84' ' ' ILE . 4.7 mp -104.0 111.11 65.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.558 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.84 -30.93 78.96 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.091 2.527 . . . . 10.0 112.593 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 103' ' ' VAL . 15.8 tt -61.62 -27.67 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 pt -127.94 39.29 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.073 0.463 . . . . 10.0 110.645 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.5 p -102.13 170.67 7.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.559 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -83.76 0.58 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.703 0.764 . . . . 10.0 109.612 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -101.92 -17.68 16.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.038 -0.983 . . . . 10.0 109.525 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -160.83 122.69 3.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.506 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -166.3 140.8 4.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.601 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -129.78 121.4 19.99 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.098 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 31.6 Cg_exo -60.99 -20.19 66.36 Favored 'Trans proline' 0 N--CA 1.475 0.436 0 C-N-CA 122.991 2.461 . . . . 10.0 112.525 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -75.65 -17.28 60.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.165 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.6 m -78.89 133.37 36.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.656 ' HE2' ' HG2' ' A' ' 9' ' ' GLU . 30.7 mtpt -95.85 161.98 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.562 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -60.3 -29.05 68.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.414 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -60.51 -37.22 80.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.943 0.401 . . . . 10.0 110.843 179.365 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -71.08 -37.43 72.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.143 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.494 ' HA ' HD13 ' A' ' 88' ' ' ILE . 29.2 t -65.61 -41.25 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.146 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.578 HD21 HD11 ' A' ' 54' ' ' ILE . 65.5 mt -60.72 -38.12 84.01 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.699 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 109' ' ' VAL . 40.2 tt0 -64.5 -48.84 73.65 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.854 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.54 -42.23 87.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.507 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.25 -49.32 77.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.221 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.99 -41.93 84.08 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.139 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 105' ' ' GLU . 71.9 t -62.73 -44.39 99.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.895 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.2 mt -69.95 -29.22 66.29 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.04 -39.08 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.099 0.476 . . . . 10.0 109.884 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -77.15 -50.19 13.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.546 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -103.14 106.38 50.75 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.459 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.66 147.25 63.09 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.849 2.366 . . . . 10.0 112.383 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.623 ' HB3' HD21 ' A' ' 77' ' ' ASN . 48.8 t30 -105.46 106.34 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.793 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.3 pt -83.23 -2.91 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.761 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.8 mtp-105 -84.75 -54.73 4.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -126.62 81.29 68.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.819 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -96.47 175.75 0.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.954 2.436 . . . . 10.0 112.051 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.5 mp -105.59 -9.67 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.385 0.612 . . . . 10.0 109.469 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.597 ' HD3' HD22 ' A' ' 124' ' ' LEU . 11.6 mtp180 -135.82 96.65 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.335 -0.848 . . . . 10.0 110.227 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -60.87 -32.1 71.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -66.01 -47.24 75.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.298 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.597 HD22 ' HD3' ' A' ' 121' ' ' ARG . 4.8 mp -71.16 -37.73 72.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.077 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.85 90.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.198 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.38 -44.52 96.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.312 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.54 HD11 HD23 ' A' ' 134' ' ' LEU . 57.8 tp -60.99 -44.24 97.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.225 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.72 -36.15 82.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.445 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.4 m -87.29 14.04 8.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.279 0.562 . . . . 10.0 111.492 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -129.1 -49.2 1.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.179 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.42 ' HA ' ' HD2' ' A' ' 132' ' ' PRO . 38.7 t-20 -144.7 95.23 5.36 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.978 0.418 . . . . 10.0 110.431 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 131' ' ' ASN . 25.3 Cg_endo -63.18 -32.11 74.37 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.967 2.445 . . . . 10.0 112.521 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.479 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 21.1 tp10 -67.84 -48.09 67.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.794 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.54 HD23 HD11 ' A' ' 127' ' ' LEU . 29.0 tp -61.92 -41.97 98.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 10.0 110.192 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.472 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 84.0 t80 -63.92 -41.37 97.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.859 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -60.48 -42.89 97.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.831 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.479 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 64.6 mttm -58.36 -51.1 71.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.104 0.478 . . . . 10.0 110.958 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -43.04 99.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.253 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.01 82.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.425 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -61.83 -54.29 44.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.849 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 2.0 tt0 -58.35 -39.85 80.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.559 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -65.94 -43.98 86.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.27 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 48' ' ' LYS . 44.0 m -62.04 -39.71 93.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.044 0.449 . . . . 10.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 35.8 mt -87.2 12.09 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 29.5 ttt180 -120.37 -52.72 2.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.206 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.4 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 96.4 m-85 -115.46 36.63 3.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.327 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -126.09 158.24 20.24 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 22.9 t -81.72 148.32 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -63.45 145.82 54.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.754 0.312 . . . . 10.0 111.252 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.445 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 14.5 tpt180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.935 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.7 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.964 0.411 . . . . 10.0 110.811 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -89.69 120.38 30.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.471 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -113.38 172.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.2 m-85 -120.56 120.3 35.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.703 0.287 . . . . 10.0 110.883 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.6 t -106.35 110.47 31.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.455 ' HE3' ' HA2' ' B' ' 10' ' ' GLY . 72.9 tttt -105.65 126.27 51.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.002 0.43 . . . . 10.0 111.45 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.412 HG22 HD23 ' B' ' 69' ' ' LEU . 21.2 p -87.2 170.34 11.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.611 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.597 HD11 HG13 ' B' ' 70' ' ' VAL . 38.9 mt -69.18 -9.16 51.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.013 0.435 . . . . 10.0 110.865 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.89 3.18 55.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.678 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.455 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . 88.9 -23.39 17.51 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.348 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -60.27 114.27 2.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.933 0.397 . . . . 10.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -111.41 125.67 54.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.151 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 30.3 pt -114.6 155.77 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.007 0.432 . . . . 10.0 111.269 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.78 131.77 40.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.373 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' B' ' 29' ' ' LYS . 12.5 tp -128.48 133.68 48.54 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.822 -0.351 . . . . 10.0 111.241 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.81 109.92 22.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.501 . . . . 10.0 110.252 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.3 m -137.82 153.6 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.952 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 48.1 mm-40 -99.96 161.92 22.71 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.21 -30.34 70.98 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.144 1.896 . . . . 10.0 112.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.65 5.19 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.569 . . . . 10.0 112.354 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.5 OUTLIER -72.96 129.35 37.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.605 0.24 . . . . 10.0 110.647 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.414 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -79.31 147.88 32.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.054 179.222 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.437 HG12 ' O ' ' B' ' 54' ' ' ARG . 39.6 mm -58.19 -40.37 77.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.544 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -40.79 86.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.382 0.611 . . . . 10.0 109.979 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -34.56 76.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.861 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 22' ' ' THR . 61.6 t -62.66 -42.55 96.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.26 -41.19 88.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.22 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.22 96.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.166 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.516 ' HB3' HD11 ' B' ' 15' ' ' LEU . 92.7 mttt -64.73 -36.01 82.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.782 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.23 -44.58 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.911 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -66.56 -31.17 71.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.016 0.436 . . . . 10.0 110.392 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.53 -37.73 79.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.903 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.443 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 12.5 ptpt -99.87 -42.63 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -85.86 -60.34 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.61 0.243 . . . . 10.0 111.359 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.64 -4.71 11.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.602 -0.809 . . . . 10.0 112.633 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.15 122.46 82.87 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.469 0.176 . . . . 10.0 110.825 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 45.7 Cg_exo -57.8 135.89 71.98 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.119 2.546 . . . . 10.0 112.137 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 52.9 Cg_exo -57.8 -27.61 78.82 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.35 2.7 . . . . 10.0 112.641 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.81 -27.6 68.38 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.13 0.491 . . . . 10.0 110.755 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.409 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 11.0 mt-30 -102.69 7.16 39.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.636 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -95.61 104.07 15.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.049 0.389 . . . . 10.0 112.049 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -109.74 96.28 6.15 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.521 ' HB3' HD12 ' B' ' 50' ' ' LEU . 38.8 mt -82.89 119.02 23.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.809 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.9 mm -110.84 127.76 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.811 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.531 ' HB3' HD21 ' B' ' 50' ' ' LEU . 53.7 t80 -130.36 117.0 19.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.178 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.63 28.35 15.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.962 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.06 -11.0 73.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.831 -0.699 . . . . 10.0 113.259 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -100.09 145.45 27.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.785 0.293 . . . . 10.0 110.256 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -87.98 131.09 34.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' B' ' 45' ' ' PHE . 59.8 mt -77.22 113.44 14.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.247 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.69 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 1.2 tt0 -73.63 135.69 43.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.751 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.06 -40.52 45.44 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.222 0.823 . . . . 10.0 113.222 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.97 5.19 80.53 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.829 -0.7 . . . . 10.0 114.508 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.69 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 3.6 mmp_? -98.04 163.22 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.369 0.584 . . . . 10.0 110.14 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.0 p -114.35 179.96 3.8 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.404 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 46.5 mt -73.4 -18.99 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.928 0.394 . . . . 10.0 110.971 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.6 m -75.45 -29.89 59.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.313 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.429 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 2.4 m-20 -58.43 -54.07 51.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.992 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -87.21 4.83 40.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.986 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 58.88 60.24 2.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.552 0.691 . . . . 10.0 110.281 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 65.8 mt -94.91 121.6 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.452 -0.795 . . . . 10.0 110.46 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -96.07 -174.44 3.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.821 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 17.6 pttp -76.48 155.92 33.44 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.842 -0.343 . . . . 10.0 111.014 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.13 9.05 6.95 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -66.06 129.52 40.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.868 0.366 . . . . 10.0 110.398 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.6 m -94.09 111.79 23.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.86 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 29.6 mt -95.71 149.31 21.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.669 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -104.91 117.2 33.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.412 HD23 HG22 ' B' ' 7' ' ' THR . 55.4 tp -97.64 111.04 23.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.158 0.504 . . . . 10.0 112.02 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.597 HG13 HD11 ' B' ' 8' ' ' LEU . 47.4 t -98.72 129.23 49.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -90.03 127.98 36.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.348 0.594 . . . . 10.0 112.024 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.409 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 10.9 ttp180 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.802 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.411 0.148 . . . . 10.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 7' ' ' VAL . 1.5 m -66.52 -20.9 66.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.217 0.821 . . . . 10.0 113.217 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -52.15 -55.92 17.87 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.621 0.601 . . . . 10.0 112.621 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -64.02 -35.58 81.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.734 0.302 . . . . 10.0 111.003 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.5 t -59.59 -45.87 93.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.041 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 3' ' ' SER . 57.9 t -64.64 -38.14 81.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.215 0.531 . . . . 10.0 110.107 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 17.1 tptp -69.29 -41.09 77.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.316 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.05 -38.75 82.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.118 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.77 -52.04 66.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.622 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 26.8 tt0 -60.78 -37.47 81.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.482 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -52.08 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.09 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.023 HD21 ' HB3' ' A' ' 101' ' ' CYS . 41.7 mt -72.59 -23.92 61.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.892 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -74.19 -17.59 60.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 10.0 111.234 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 94.1 mttt -92.76 -38.79 11.6 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -122.89 74.98 47.89 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.238 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.57 137.0 7.71 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.793 2.328 . . . . 10.0 111.879 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 33.1 Cg_endo -68.03 145.78 68.68 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.39 2.06 . . . . 10.0 110.586 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.9 Cg_exo -56.34 -21.07 35.04 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 123.028 2.485 . . . . 10.0 114.07 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -97.09 7.19 47.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 14.9 tp -132.48 117.05 17.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.798 0.333 . . . . 10.0 110.792 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.477 ' HG2' HD13 ' A' ' 39' ' ' LEU . 16.2 mmt85 -124.0 166.0 16.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.41 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 58.43 29.8 18.76 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.643 0.608 . . . . 10.0 112.643 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.1 tp -68.87 101.22 1.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.31 0.576 . . . . 10.0 111.044 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.47 173.9 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.375 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -169.62 2.69 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.825 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 23.8 t70 -85.51 161.8 19.2 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.97 -37.72 80.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.817 0.341 . . . . 10.0 111.131 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.48 39.33 2.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.235 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 14.9 t-20 -162.73 139.6 7.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 10.0 110.978 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.5 p -98.85 -10.78 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.152 0.501 . . . . 10.0 110.52 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -94.37 15.04 18.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.163 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.825 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 62.1 t -134.52 123.62 42.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.762 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 42.1 m0 -105.7 140.88 38.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.023 0.439 . . . . 10.0 111.261 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -118.46 123.36 44.99 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.003 -1.11 . . . . 10.0 108.003 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.26 161.53 42.48 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.515 -0.474 . . . . 10.0 112.233 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.6 mt -113.81 123.03 48.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.799 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.8 tp -91.7 131.42 37.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.907 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.477 HD13 ' HG2' ' A' ' 22' ' ' ARG . 10.4 mp -117.32 88.61 28.57 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.574 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.93 158.05 53.51 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.668 2.245 . . . . 10.0 111.582 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -99.41 -33.55 10.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 10.0 110.82 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 5.4 tp-100 -56.98 121.1 43.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.417 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 21.2 Cg_exo -67.97 147.4 74.03 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.623 2.216 . . . . 10.0 110.774 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -95.96 18.83 33.31 Favored 'Cis proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.972 -1.262 . . . . 10.0 112.222 -0.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -62.69 -24.22 67.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.981 0.419 . . . . 10.0 111.415 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.558 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 0.7 OUTLIER -75.32 -0.26 19.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.906 0.706 . . . . 10.0 112.906 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -75.77 -29.61 58.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.76 0.314 . . . . 10.0 110.666 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.632 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 54.4 mmtt -140.99 -163.41 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.75 161.29 31.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.674 0.273 . . . . 10.0 110.373 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -126.51 134.13 50.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.192 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -91.1 136.13 33.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.782 0.325 . . . . 10.0 110.795 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.08 154.96 35.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.597 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -124.35 110.4 14.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.736 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.762 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 44.4 mt -93.97 117.72 38.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.489 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.52 114.56 28.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.439 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -89.2 130.82 42.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.215 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.611 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 72.0 Cg_endo -76.35 154.86 36.57 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.462 2.108 . . . . 10.0 111.229 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.4 -19.66 55.25 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.323 2.015 . . . . 10.0 111.855 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.595 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.1 mp0 -97.19 16.9 18.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.655 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 61' ' ' PRO . 35.3 t80 -62.01 140.19 95.83 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 60' ' ' TYR . 66.3 Cg_endo -98.73 25.64 18.95 Favored 'Cis proline' 0 C--N 1.35 0.623 0 C-N-CA 124.232 -1.153 . . . . 10.0 113.358 0.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -75.22 -25.5 58.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.484 0.659 . . . . 10.0 109.283 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.786 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -112.42 137.09 21.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.013 -0.994 . . . . 10.0 108.757 178.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.786 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 33.9 Cg_endo -65.76 137.64 50.41 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.724 2.282 . . . . 10.0 112.676 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.611 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 60.3 Cg_endo -73.77 151.49 46.17 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.519 2.146 . . . . 10.0 111.181 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 30.2 mtm -102.34 112.53 25.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.739 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.739 HG12 HG23 ' A' ' 54' ' ' ILE . 60.2 mt -113.3 122.88 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.013 0.435 . . . . 10.0 110.489 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 3.6 ptmm? -137.34 163.26 31.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.002 -0.544 . . . . 10.0 109.716 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -89.11 134.8 33.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.5 -33.8 31.68 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.33 178.85 5.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.107 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 146' ' ' PHE . 75.5 mmtt -97.66 128.49 44.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.788 0.327 . . . . 10.0 110.681 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.6 tt -128.19 129.68 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.234 0.54 . . . . 10.0 111.552 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -84.68 81.51 8.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.399 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -132.86 134.87 25.06 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.657 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.632 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 39.7 Cg_endo -66.59 -4.5 11.04 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.939 2.426 . . . . 10.0 113.762 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -116.44 17.85 15.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.058 0.456 . . . . 10.0 110.528 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.4 t -139.01 142.92 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -87.04 172.32 10.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.61 0.243 . . . . 10.0 111.187 179.7 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.28 -29.22 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.579 0.585 . . . . 10.0 112.579 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' OD1' ' HE3' ' A' ' 68' ' ' LYS . 23.6 t-20 -76.44 -33.87 58.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.201 0.524 . . . . 10.0 110.03 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.35 19.79 3.78 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.582 -0.736 . . . . 10.0 111.839 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -82.23 137.18 34.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.833 0.349 . . . . 10.0 110.517 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -127.29 140.59 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.587 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.681 ' HB2' HD11 ' A' ' 120' ' ' LEU . 62.8 m -104.04 108.66 20.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.417 . . . . 99.99 109.988 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.4 HD13 HD11 ' A' ' 89' ' ' ILE . 5.0 mp -116.77 120.53 34.08 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.806 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.21 -31.72 94.12 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.987 2.458 . . . . 10.0 111.954 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.654 HD11 HG21 ' A' ' 98' ' ' THR . 10.0 tp -62.78 -33.99 63.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.672 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.4 HD11 HD13 ' A' ' 86' ' ' LEU . 18.3 pt -113.27 29.58 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.251 0.548 . . . . 10.0 110.76 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.9 p -86.56 155.88 20.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.846 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.91 -7.39 45.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.087 0.47 . . . . 10.0 110.775 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -101.24 -28.71 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -128.84 25.53 5.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -75.29 123.98 26.29 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.405 -0.518 . . . . 10.0 111.503 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.441 ' HB2' ' HG1' ' A' ' 98' ' ' THR . 41.2 mtpt -113.77 117.27 44.61 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -58.92 -21.85 59.91 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 123.117 2.544 . . . . 10.0 113.292 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -9.01 58.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.798 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.654 HG21 HD11 ' A' ' 88' ' ' ILE . 1.3 m -84.2 134.13 34.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.438 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -92.63 160.17 15.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.782 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -60.35 -30.85 69.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.216 0.45 . . . . 10.0 112.216 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 1.023 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -60.77 -37.41 81.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.36 . . . . 10.0 110.95 179.656 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.17 -36.05 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.17 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.76 -42.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.437 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.418 HD21 HD11 ' A' ' 54' ' ' ILE . 62.4 mt -64.87 -35.28 80.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.175 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 109' ' ' VAL . 23.4 tt0 -63.9 -46.89 82.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.091 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.08 96.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.614 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.6 -47.38 84.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.516 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.93 -41.29 82.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.418 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 105' ' ' GLU . 83.2 t -63.04 -45.12 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.805 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.0 -31.73 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.835 0.309 . . . . 10.0 111.835 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.65 -44.5 52.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.037 0.446 . . . . 10.0 110.976 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.425 ' O ' ' HD3' ' A' ' 114' ' ' PRO . 46.9 m-80 -75.93 -33.55 59.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.322 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -113.1 92.19 20.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.003 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 112' ' ' ASN . 16.5 Cg_exo -67.88 106.09 1.25 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.433 2.089 . . . . 10.0 111.485 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -65.76 111.12 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.235 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.0 pt -84.19 -14.47 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.849 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.3 mtp-105 -76.57 -48.42 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.962 0.41 . . . . 10.0 110.84 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -127.74 79.73 73.11 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.036 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -95.08 175.82 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.828 2.352 . . . . 10.0 111.393 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.9 mp -103.36 -20.98 13.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.449 0.642 . . . . 10.0 109.485 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.452 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 47.3 mtp180 -132.15 97.68 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.238 -0.892 . . . . 10.0 110.025 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.411 ' SD ' HD22 ' B' ' 71' ' ' LEU . 4.8 mpp? -64.82 -25.23 67.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.539 ' HB3' ' HB ' ' B' ' 9' ' ' THR . 20.1 p-10 -68.51 -37.64 80.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 10.0 111.098 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.537 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 2.3 mp -81.76 -35.51 29.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.584 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.3 86.12 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.046 -0.524 . . . . 10.0 109.846 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -60.16 -44.49 94.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.305 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.437 HD11 HD23 ' A' ' 134' ' ' LEU . 12.0 tp -61.6 -47.13 86.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.324 -0.853 . . . . 10.0 111.133 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.8 -32.43 73.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.999 0.428 . . . . 10.0 111.729 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.7 m -78.01 -33.83 51.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.981 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -80.95 -54.86 5.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.497 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -139.83 101.92 7.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.991 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -62.93 -36.93 57.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.821 2.347 . . . . 10.0 112.348 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.561 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 20.3 tp10 -64.75 -42.99 94.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.835 0.35 . . . . 10.0 110.883 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.437 HD23 HD11 ' A' ' 127' ' ' LEU . 33.1 tp -59.41 -42.22 91.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.865 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.632 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 60.8 t80 -68.24 -40.58 81.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.603 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -57.3 -43.03 82.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.323 -0.853 . . . . 10.0 111.195 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.561 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 62.6 mttm -63.82 -50.76 67.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.998 0.428 . . . . 10.0 111.204 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.02 -44.69 97.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.323 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.8 88.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.341 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -58.53 -54.46 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.057 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -58.72 -43.71 90.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.826 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.61 -43.36 97.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.392 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.463 HG22 ' HB2' ' A' ' 48' ' ' LYS . 19.2 m -67.03 -37.58 84.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.248 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 91.0 mt -88.58 15.13 8.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.56 -0.291 . . . . 10.0 111.69 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -132.7 -45.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 83.1 m-85 -112.28 18.92 18.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.856 0.36 . . . . 10.0 111.169 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -108.54 163.65 12.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.694 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.532 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 35.9 t -91.44 150.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.632 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 2.9 t0 -64.21 144.91 56.78 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.694 -0.402 . . . . 10.0 111.3 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.558 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 1.8 ttt180 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.977 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.831 0.348 . . . . 10.0 110.688 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -88.42 126.69 35.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.545 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.4 pt -126.25 164.72 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.584 -0.525 . . . . 10.0 109.584 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -121.22 125.13 46.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.747 0.308 . . . . 10.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.485 ' HB ' HG13 ' B' ' 13' ' ' ILE . 21.8 t -106.98 107.18 22.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -100.23 128.24 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.414 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.536 HG22 HD23 ' B' ' 69' ' ' LEU . 40.0 p -89.11 -179.93 6.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.176 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.652 HD11 HG13 ' B' ' 70' ' ' VAL . 86.9 mt -82.82 -1.98 53.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.051 0.453 . . . . 10.0 110.753 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.539 ' HB ' ' HB3' ' A' ' 123' ' ' ASP . 0.8 OUTLIER -105.81 11.21 32.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.003 0.43 . . . . 10.0 111.402 -179.547 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.71 -26.8 7.0 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.805 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -64.15 112.12 2.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.862 0.363 . . . . 10.0 111.165 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.2 m -107.8 127.56 53.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.623 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.485 HG13 ' HB ' ' B' ' 5' ' ' VAL . 15.4 pt -113.8 139.67 38.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.87 0.367 . . . . 10.0 111.315 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.8 m -85.31 137.8 32.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.758 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' B' ' 29' ' ' LYS . 22.3 tp -137.37 150.48 47.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.372 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -112.63 119.76 39.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.334 0.588 . . . . 10.0 111.2 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.61 HG11 HG22 ' B' ' 26' ' ' VAL . 2.4 m -143.82 152.83 15.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.478 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.406 ' O ' HD12 ' B' ' 56' ' ' LEU . 67.0 mm-40 -101.13 158.89 30.94 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.457 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 50.3 Cg_exo -55.26 -23.29 36.51 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.394 2.062 . . . . 10.0 112.797 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -80.22 -14.62 58.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.867 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.33 137.55 56.13 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.921 0.391 . . . . 10.0 110.53 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 5.0 p -87.99 157.68 18.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.646 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.485 HG13 ' HB3' ' B' ' 50' ' ' LEU . 42.3 mm -59.71 -36.03 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.95 -40.19 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.109 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -71.08 -36.58 72.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.234 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.61 HG22 HG11 ' B' ' 17' ' ' VAL . 87.4 t -61.21 -43.32 96.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.628 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.29 -42.38 86.5 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.721 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.07 -40.41 96.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.32 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.727 ' HB3' HD11 ' B' ' 15' ' ' LEU . 94.2 mttt -65.56 -29.83 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.901 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.9 mt -73.53 -43.4 55.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.78 -25.86 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.586 -0.733 . . . . 10.0 109.969 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 9.1 t70 -59.73 -37.87 80.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.459 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.437 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 13.3 ptpt -101.25 -40.67 7.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.704 1.001 . . . . 10.0 113.704 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -88.6 -52.91 4.9 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.24 -14.13 18.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.223 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 60.6 mt -61.36 119.69 48.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 110.443 -0.206 . . . . 10.0 110.443 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 31.7 Cg_exo -60.59 141.56 95.57 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.723 2.282 . . . . 10.0 112.201 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -56.08 -28.32 69.23 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.32 2.68 . . . . 10.0 112.161 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -64.35 -24.07 67.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.389 0.614 . . . . 10.0 110.603 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.607 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 20.9 mt-30 -107.44 15.74 24.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.576 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -108.47 113.28 26.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.539 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.736 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 61.6 ttt-85 -112.73 95.72 5.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.656 ' HB3' HD12 ' B' ' 50' ' ' LEU . 62.3 mt -86.95 124.3 33.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.09 -0.505 . . . . 10.0 112.119 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.5 mm -119.12 126.85 75.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.237 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -121.1 105.14 10.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.661 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.05 35.81 25.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.909 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.44 -15.99 60.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.033 -0.604 . . . . 10.0 112.768 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -89.32 126.82 35.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.464 -0.199 . . . . 10.0 110.464 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -76.68 124.59 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.656 HD12 ' HB3' ' B' ' 43' ' ' LEU . 83.7 mt -76.87 115.98 17.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.964 0.411 . . . . 10.0 111.774 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.422 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 2.2 tm-20 -80.26 133.77 36.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.84 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.87 -41.97 62.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.65 -4.17 84.56 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 121.041 -0.599 . . . . 10.0 114.584 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.422 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 5.5 mmp_? -94.72 157.87 15.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.48 0.64 . . . . 10.0 111.288 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 70.5 p -103.02 171.77 7.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 86.1 mt -67.61 -23.31 65.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.901 0.381 . . . . 10.0 110.356 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -75.32 -22.31 57.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.868 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.68 -40.3 95.17 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.617 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -99.94 6.36 45.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.988 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 56.02 63.52 2.0 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.333 0.587 . . . . 10.0 110.739 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -97.66 128.5 48.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.635 -0.712 . . . . 10.0 110.727 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -101.89 -171.87 2.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.052 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.503 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 11.1 pttp -78.93 160.46 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.456 0.17 . . . . 10.0 110.805 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 71.6 6.01 5.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.641 0.608 . . . . 10.0 112.641 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.9 m -72.42 141.93 48.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.92 0.391 . . . . 10.0 110.775 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.4 m -107.92 118.13 35.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.647 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.423 HD22 HD11 ' B' ' 50' ' ' LEU . 61.3 mt -96.35 135.74 37.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.967 -0.56 . . . . 10.0 109.566 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -89.86 115.45 27.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.892 -0.41 . . . . 10.0 109.892 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.536 HD23 HG22 ' B' ' 7' ' ' THR . 60.1 tp -96.98 107.98 20.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.122 0.487 . . . . 10.0 111.86 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.736 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 41.8 t -95.1 132.41 39.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.411 HD22 ' SD ' ' A' ' 122' ' ' MET . 46.1 tp -79.78 112.92 17.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.886 0.375 . . . . 10.0 111.753 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.607 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 7.0 ttp180 . . . . . 0 C--N 1.322 -0.602 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.656 0.265 . . . . 10.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -31.42 67.36 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 46.1 ttm -53.14 -47.23 68.89 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.44 -0.346 . . . . 10.0 111.832 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -74.49 -39.47 62.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.611 -0.268 . . . . 10.0 110.579 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.8 t -55.81 -47.13 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.15 -41.98 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 10.0 110.543 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -43.28 85.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.106 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.828 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.0 mt-10 -63.95 -36.13 82.95 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.605 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.44 -47.37 86.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.936 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -60.48 -39.7 88.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.768 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -56.53 -52.08 66.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.2 0.524 . . . . 10.0 110.814 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -76.81 -21.84 54.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.518 -0.765 . . . . 10.0 112.734 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -78.76 -36.04 43.63 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.643 -0.423 . . . . 10.0 110.949 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -78.24 -36.88 46.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.44 0.638 . . . . 10.0 110.074 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -127.07 81.24 70.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.005 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 1.2 Cg_endo -85.07 126.6 3.3 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.13 2.553 . . . . 10.0 112.127 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 32.5 Cg_exo -61.61 146.49 96.81 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.402 2.068 . . . . 10.0 110.462 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 51.3 Cg_exo -55.2 -25.22 45.32 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.753 2.302 . . . . 10.0 113.236 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -94.13 4.78 53.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.462 HD21 HD13 ' A' ' 24' ' ' LEU . 24.4 tp -124.72 102.01 7.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -108.33 136.85 47.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 63.3 t30 56.88 74.69 0.4 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.939 -1.028 . . . . 10.0 113.239 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 36' ' ' ALA . 7.1 tp -95.74 97.08 9.42 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.997 -0.742 . . . . 10.0 108.997 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -122.72 143.39 49.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.056 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.13 162.27 28.65 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.618 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 20.7 t70 -64.72 149.69 48.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.909 0.385 . . . . 10.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.05 -39.2 71.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.561 -0.745 . . . . 10.0 112.466 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.81 -38.63 6.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.175 0.806 . . . . 10.0 113.175 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.618 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 16.0 t-20 -109.03 130.05 55.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -82.5 -14.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.747 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.61 -3.62 57.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.441 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.432 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 49.0 t -114.28 119.67 61.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.785 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 45.8 m0 -106.57 140.94 38.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.822 0.344 . . . . 10.0 111.198 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -122.22 121.62 37.25 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HB3' HD11 ' A' ' 52' ' ' LEU . . . -149.24 164.81 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.759 0.314 . . . . 10.0 111.524 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.6 mt -111.11 121.71 46.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.517 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.519 ' HB2' HD23 ' A' ' 52' ' ' LEU . 28.0 tp -87.81 134.88 33.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mp -118.65 86.86 30.51 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.627 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.31 151.05 59.81 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.456 2.104 . . . . 10.0 110.353 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.01 -1.92 25.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.851 0.358 . . . . 10.0 111.647 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.455 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.4 tp-100 -86.78 131.71 44.45 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.522 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 22.6 Cg_exo -67.68 143.74 63.19 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.603 2.202 . . . . 10.0 110.831 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 63.3 Cg_endo -97.73 10.96 34.67 Favored 'Cis proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.757 -1.351 . . . . 10.0 112.393 0.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -62.2 -24.16 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.457 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -4.25 13.1 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.136 0.791 . . . . 10.0 113.136 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -86.34 -19.98 29.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.145 0.424 . . . . 10.0 112.145 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -139.34 -171.4 3.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.73 0.3 . . . . 10.0 110.796 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.6 155.82 41.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.778 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -125.91 127.98 46.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.781 0.324 . . . . 10.0 111.243 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -81.43 131.32 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.471 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.519 HD23 ' HB2' ' A' ' 38' ' ' LEU . 1.9 pp -114.39 150.04 35.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.898 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -118.06 107.91 14.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.108 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.785 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 65.0 mt -92.94 119.39 40.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.684 -0.488 . . . . 10.0 109.684 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.62 109.63 19.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.954 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -87.86 125.85 63.32 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.639 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 73.7 Cg_endo -76.54 152.52 33.84 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.332 2.021 . . . . 10.0 111.239 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.15 -14.75 46.85 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.613 2.209 . . . . 10.0 111.754 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -91.91 14.29 16.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.008 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.54 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 15.4 t80 -66.46 144.58 98.73 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.54 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 94.4 Cg_endo -98.25 26.74 18.03 Favored 'Cis proline' 0 N--CA 1.458 -0.568 0 C-N-CA 124.281 -1.133 . . . . 10.0 112.731 0.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -78.9 -22.85 45.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.401 0.62 . . . . 10.0 109.699 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -116.74 140.08 26.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.311 -0.859 . . . . 10.0 109.972 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.426 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 45.0 Cg_endo -68.16 143.14 58.14 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.86 2.373 . . . . 10.0 113.081 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.5 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 56.1 Cg_endo -72.41 143.29 38.55 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.704 2.269 . . . . 10.0 111.617 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.0 mtm -92.23 99.29 12.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.782 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.587 HG12 HG23 ' A' ' 54' ' ' ILE . 54.7 mt -104.04 126.08 58.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.002 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.492 ' HB2' ' HE3' ' A' ' 68' ' ' LYS . 12.5 ptmt -138.42 169.69 17.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.42 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -98.21 127.8 44.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.723 0.297 . . . . 10.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.6 -28.25 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.441 HG21 ' HA2' ' A' ' 147' ' ' GLY . 15.8 m -93.85 131.91 38.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.374 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -66.88 115.41 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 10.0 111.194 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 tt -117.32 127.82 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.893 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.02 77.71 6.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -123.1 135.17 25.63 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.759 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 18.9 Cg_endo -60.67 -6.34 5.66 Favored 'Trans proline' 0 N--CA 1.478 0.559 0 C-N-CA 123.169 2.579 . . . . 10.0 114.195 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -117.24 15.7 14.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.869 0.366 . . . . 10.0 110.605 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.05 140.33 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.92 179.45 5.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.602 0.239 . . . . 10.0 111.516 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -63.16 -30.61 71.73 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -76.16 -29.65 57.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 10.0 111.036 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.48 24.12 6.91 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.458 -0.657 . . . . 10.0 111.458 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -86.64 150.83 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.194 -0.299 . . . . 10.0 110.194 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pt -137.28 148.47 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.89 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 103.74 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.015 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.504 ' HB3' HG22 ' A' ' 88' ' ' ILE . 8.5 mp -107.97 122.43 40.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.724 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 13.6 Cg_exo -70.24 3.7 2.84 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.145 2.563 . . . . 10.0 113.052 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.504 HG22 ' HB3' ' A' ' 86' ' ' LEU . 20.7 tt -96.47 -20.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.983 0.421 . . . . 10.0 110.361 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 64' ' ' PRO . 19.7 pt -126.45 25.02 2.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.416 0.626 . . . . 10.0 110.149 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.3 p -79.69 162.55 25.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.923 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -71.66 -23.53 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.266 0.555 . . . . 10.0 110.238 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -83.77 -45.53 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.855 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -119.29 107.69 13.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -153.52 135.5 14.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.284 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 17.2 mtpt -133.28 121.69 16.71 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.635 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 30.5 Cg_exo -64.2 -14.03 41.37 Favored 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 123.192 2.595 . . . . 10.0 112.363 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -74.88 -17.09 60.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.111 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.35 144.31 30.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.646 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.828 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 59.9 mtpt -108.2 171.31 7.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.218 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -59.45 -31.28 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.472 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -50.9 69.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.876 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -68.6 -31.69 71.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.796 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.47 -45.36 89.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.69 -34.3 77.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.666 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 109' ' ' VAL . 3.8 tt0 -63.91 -47.61 79.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.98 -38.15 81.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.284 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 111' ' ' VAL . 49.0 tp -62.99 -46.37 88.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.492 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -58.86 -40.41 84.21 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.081 0.467 . . . . 10.0 110.297 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 105' ' ' GLU . 61.2 t -63.75 -45.64 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.281 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.57 -30.46 71.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.611 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 107' ' ' LEU . 73.2 t -74.83 -49.44 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.01 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -71.3 -32.89 69.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.303 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' A' ' 113' ' ' ARG . 17.6 mmm180 -117.5 91.04 36.83 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.01 121.2 7.84 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.966 2.444 . . . . 10.0 111.897 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -76.88 111.84 12.84 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.2 pt -89.8 -14.95 8.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.651 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -85.3 -30.97 23.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.355 0.598 . . . . 10.0 109.766 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -132.17 66.6 77.73 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.2 -0.909 . . . . 10.0 109.707 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -97.19 174.61 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.955 2.437 . . . . 10.0 112.526 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.15 -15.9 14.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.373 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.569 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 14.4 mtp180 -127.39 105.71 8.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.51 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 92.5 mtp -69.31 -25.61 64.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.778 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.569 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 18.6 p-10 -68.5 -40.78 80.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.474 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.651 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.6 mp -84.57 -35.24 22.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.546 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.61 83.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 10.0 111.195 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 2.5 t0 -63.28 -43.55 97.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.157 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.46 -45.72 84.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.56 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.23 -34.32 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.012 0.434 . . . . 10.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.2 m -71.03 -34.95 71.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 47.1 mm-40 -82.31 -57.27 3.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.786 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -141.63 104.02 5.88 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.836 0.35 . . . . 10.0 111.163 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.98 -32.46 65.24 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.083 2.522 . . . . 10.0 112.093 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.523 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 37.0 tp10 -68.36 -44.03 76.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.552 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 27.5 tp -62.85 -38.93 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.184 0.516 . . . . 10.0 109.92 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.651 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 73.5 t80 -66.76 -42.78 85.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.505 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.3 ttp85 -59.87 -40.56 89.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.347 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.523 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 65.2 mttm -55.85 -57.21 13.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.84 0.353 . . . . 10.0 111.486 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -64.14 -41.52 97.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.629 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.62 81.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.773 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.75 -48.21 75.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.322 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.17 -40.4 89.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.912 0.387 . . . . 10.0 110.059 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -62.99 -45.01 94.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.215 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 31.0 m -64.48 -45.33 87.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.266 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 65.7 mt -79.81 15.89 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.722 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -127.14 -56.9 1.33 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.884 0.373 . . . . 10.0 111.256 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -89.46 -33.69 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.563 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.441 ' HA2' HG21 ' A' ' 71' ' ' THR . . . -63.73 153.6 46.96 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.96 -0.564 . . . . 10.0 113.434 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 15.0 t -83.61 147.54 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -55.98 137.41 50.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.612 0.244 . . . . 10.0 111.472 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.582 -179.505 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.0 ptt? . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.651 0.262 . . . . 10.0 110.436 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -86.39 130.93 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.015 0.436 . . . . 10.0 111.38 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 pt -131.23 168.4 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' B' ' 66' ' ' THR . 94.7 m-85 -119.76 131.97 55.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.708 0.29 . . . . 10.0 111.341 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -113.64 114.85 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -103.82 120.47 41.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 10.0 111.364 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.517 HG22 HD23 ' B' ' 69' ' ' LEU . 23.8 p -80.43 177.57 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.573 HD11 HG13 ' B' ' 70' ' ' VAL . 74.5 mt -74.68 -10.69 59.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.919 0.39 . . . . 10.0 111.424 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.402 HG21 ' H ' ' A' ' 123' ' ' ASP . 0.2 OUTLIER -98.09 2.75 49.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.08 0.467 . . . . 10.0 111.072 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.44 -12.39 68.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 10.0 113.107 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -67.82 108.27 2.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -98.28 119.39 36.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.698 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 pt -105.48 151.17 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.385 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.54 120.39 32.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.819 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' B' ' 29' ' ' LYS . 17.0 tp -121.2 147.39 45.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.85 0.357 . . . . 10.0 110.574 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -122.25 115.82 23.04 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.128 0.489 . . . . 10.0 111.309 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' B' ' 1' ' ' MET . 0.2 OUTLIER -146.1 160.42 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.577 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 58.6 mm-40 -106.34 160.16 27.19 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.484 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 50.9 Cg_exo -56.09 -25.89 56.9 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.55 2.167 . . . . 10.0 112.573 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.52 -6.27 58.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.951 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.5 m-20 -77.05 143.21 39.46 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.81 0.338 . . . . 10.0 111.091 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 21.7 p -86.83 156.12 20.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.104 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.45 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 50.8 mm -61.43 -34.92 63.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.905 0.383 . . . . 10.0 110.099 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.67 -41.31 97.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.164 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -69.19 -34.92 75.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.108 0.48 . . . . 10.0 109.982 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.482 HG22 HG11 ' B' ' 17' ' ' VAL . 79.4 t -61.26 -44.47 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.45 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.94 -39.48 89.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.573 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.78 86.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.633 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.518 ' HB3' HD11 ' B' ' 15' ' ' LEU . 73.2 mttt -67.87 -38.32 82.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.567 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.04 -38.12 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 10.0 109.84 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -67.41 -32.66 73.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.182 0.515 . . . . 10.0 110.116 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.33 -52.34 58.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.677 -0.692 . . . . 10.0 112.085 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -45.1 19.3 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -87.49 -75.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.736 0.303 . . . . 10.0 111.071 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.24 -13.87 3.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.648 -0.787 . . . . 10.0 111.969 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 50.1 mt -57.53 123.21 60.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.264 . . . . 10.0 110.488 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.0 Cg_exo -57.74 136.53 76.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.958 2.438 . . . . 10.0 111.622 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.1 Cg_exo -56.58 -27.08 67.77 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.188 2.592 . . . . 10.0 111.751 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.91 -26.84 65.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.51 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.643 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 43.7 mt-30 -102.09 12.7 36.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.381 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 74.0 mt-30 -99.93 104.5 16.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.084 0.401 . . . . 10.0 112.084 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.663 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 31.7 ttt180 -105.33 90.68 3.5 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 178.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' B' ' 50' ' ' LEU . 47.7 mt -82.68 125.42 31.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.705 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.42 ' CD1' ' HG2' ' B' ' 49' ' ' GLN . 29.6 mm -115.59 134.53 58.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.422 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.666 ' HB3' HD21 ' B' ' 50' ' ' LEU . 90.7 t80 -151.89 134.67 15.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.86 27.82 17.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.056 0.455 . . . . 10.0 111.592 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.32 -2.1 83.02 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.771 -0.65 . . . . 10.0 113.694 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -119.75 160.92 21.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.991 0.424 . . . . 10.0 111.827 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.42 ' HG2' ' CD1' ' B' ' 44' ' ' ILE . 22.6 mt-30 -84.58 136.99 33.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.746 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' B' ' 45' ' ' PHE . 71.1 mt -79.64 112.76 17.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.08 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -76.27 130.39 38.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.898 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.45 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.3 m-20 -53.33 -40.26 64.73 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.164 0.801 . . . . 10.0 113.164 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.93 19.19 7.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.907 -0.663 . . . . 10.0 113.987 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.441 ' HD3' ' CG ' ' B' ' 58' ' ' ASP . 5.8 mmp_? -123.41 168.93 11.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.249 0.524 . . . . 10.0 110.552 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 20.4 p -108.96 173.94 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.484 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 52.1 mt -65.59 -31.38 72.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 10.0 111.228 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -22.21 63.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.313 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.441 ' CG ' ' HD3' ' B' ' 54' ' ' ARG . 6.0 m-20 -64.47 -29.65 70.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -110.47 8.51 23.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.127 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 57.44 43.92 22.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.407 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -76.23 120.2 25.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.908 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -102.42 -172.39 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.271 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -74.3 155.1 38.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.603 0.24 . . . . 10.0 111.334 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 63.64 21.99 12.95 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.698 0.629 . . . . 10.0 112.698 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.3 m -86.84 139.8 30.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.676 -0.238 . . . . 10.0 110.425 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 8.9 m -100.67 119.96 39.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.866 0.365 . . . . 10.0 111.249 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 73.1 mt -97.28 139.87 32.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -94.2 112.37 24.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.106 -0.331 . . . . 10.0 110.106 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.517 HD23 HG22 ' B' ' 7' ' ' THR . 56.5 tp -95.77 105.18 17.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.07 0.462 . . . . 10.0 111.585 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.663 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 61.3 t -93.67 123.8 45.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.21 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mp -76.3 108.3 9.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.783 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.643 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 13.2 ttp85 . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.105 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.477 0.18 . . . . 10.0 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -39.64 49.33 Favored 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.3 mtm -53.17 -54.7 31.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.732 0.301 . . . . 10.0 111.779 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -71.62 -37.2 70.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.615 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.0 t -57.61 -48.57 82.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.782 0.325 . . . . 10.0 110.433 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.83 -36.12 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 10.0 110.307 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.46 -46.29 83.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.538 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.54 -34.08 73.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.19 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.64 -45.92 91.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -63.04 -43.74 97.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.672 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -54.68 -53.92 48.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.56 -25.61 61.42 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.103 0.779 . . . . 10.0 113.103 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -79.15 -32.7 44.44 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.696 -0.402 . . . . 10.0 111.019 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -74.57 -38.88 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -128.4 81.25 70.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.523 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 6.7 Cg_exo -74.66 134.8 18.9 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.987 2.458 . . . . 10.0 112.366 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 27.2 Cg_exo -64.3 145.98 89.34 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.609 2.206 . . . . 10.0 110.744 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.6 Cg_exo -61.27 -14.99 37.36 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.795 2.33 . . . . 10.0 112.814 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -108.29 11.32 27.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.494 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 18' ' ' PRO . 17.2 tp -132.81 124.1 27.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.674 0.273 . . . . 10.0 110.586 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -133.52 163.17 30.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.617 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.9 t30 57.64 31.8 20.92 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.796 -0.638 . . . . 10.0 112.343 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 25.3 tp -69.63 104.87 2.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.946 0.403 . . . . 10.0 110.821 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.99 164.67 27.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.273 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 p -87.9 161.09 17.67 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 12.1 t70 -63.49 145.33 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -52.69 -40.59 63.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.486 0.551 . . . . 10.0 112.486 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.86 -31.71 6.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.712 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 19.7 t-20 -100.32 121.95 42.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.269 0.557 . . . . 10.0 112.294 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.19 -15.2 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.726 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.4 mt -93.47 10.52 32.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.424 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.9 t -126.96 125.99 67.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.805 0.336 . . . . 10.0 110.382 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.63 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 48.7 m0 -103.95 144.29 31.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.959 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -126.27 115.57 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.093 -1.077 . . . . 10.0 108.093 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 24' ' ' LEU . . . -145.73 169.7 17.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 10.0 112.046 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -113.39 129.46 56.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.378 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.529 ' HB2' HD23 ' A' ' 52' ' ' LEU . 28.1 tp -94.35 132.45 38.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -112.52 90.36 14.51 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.731 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 16.9 Cg_exo -68.59 146.88 68.95 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.407 2.071 . . . . 10.0 111.622 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -99.53 -28.44 13.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.706 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.81 129.64 86.44 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.92 150.79 67.74 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.739 2.293 . . . . 10.0 110.919 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -92.64 15.41 46.13 Favored 'Cis proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.962 -1.266 . . . . 10.0 112.255 -0.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -70.29 -9.91 57.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.574 0.702 . . . . 10.0 110.268 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -78.34 -11.31 59.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.827 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.92 -39.49 66.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 51.7 mmtt -132.66 -160.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.57 -0.286 . . . . 10.0 110.571 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -132.5 168.03 18.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -131.39 143.65 50.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.596 0.236 . . . . 10.0 110.666 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -93.5 135.47 34.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.739 0.304 . . . . 10.0 110.794 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.529 HD23 ' HB2' ' A' ' 38' ' ' LEU . 2.7 pp -122.38 151.36 41.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.104 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -122.88 112.96 18.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.235 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.675 HG23 HG12 ' A' ' 67' ' ' ILE . 54.1 mt -99.53 112.78 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -108.35 120.46 42.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.918 0.39 . . . . 10.0 111.019 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -93.54 128.53 41.84 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.787 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.81 155.29 53.74 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.442 2.095 . . . . 10.0 111.045 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.24 12.52 0.62 Allowed 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.797 2.331 . . . . 10.0 112.061 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -120.42 17.67 12.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.559 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.476 ' CG ' ' HA ' ' A' ' 61' ' ' PRO . 6.5 t80 -67.95 144.06 96.83 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.196 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.476 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . 65.4 Cg_endo -97.37 25.01 21.51 Favored 'Cis proline' 0 C--N 1.347 0.49 0 C-N-CA 124.017 -1.243 . . . . 10.0 112.895 0.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -73.61 -29.23 62.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.204 0.526 . . . . 10.0 109.961 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -110.11 142.9 26.9 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.996 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.04 144.0 62.1 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.882 2.388 . . . . 10.0 113.467 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.25 133.62 16.45 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.683 2.255 . . . . 10.0 111.01 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.3 mtm -87.32 107.79 18.67 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.029 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.675 HG12 HG23 ' A' ' 54' ' ' ILE . 40.5 mt -108.25 118.35 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.122 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.466 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 9.2 ptmm? -128.68 159.36 35.87 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -85.97 140.85 29.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.772 0.32 . . . . 10.0 110.51 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.87 4.51 45.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.385 0.612 . . . . 10.0 109.723 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.34 155.99 48.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.571 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.551 ' HB3' ' HE2' ' A' ' 142' ' ' PHE . 32.8 mtpt -82.98 104.04 12.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.961 0.41 . . . . 10.0 111.453 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.1 tt -104.35 124.01 58.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.699 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -78.2 74.53 4.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.425 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -123.32 132.71 24.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.123 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 19.6 Cg_endo -58.0 -20.83 47.01 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.18 2.587 . . . . 10.0 114.179 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 119' ' ' PRO . 13.5 m120 -107.5 18.25 21.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.752 0.311 . . . . 10.0 111.49 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.514 HG22 HG22 ' A' ' 84' ' ' ILE . 67.6 t -133.3 140.25 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.651 ' HB3' ' HB2' ' A' ' 83' ' ' GLN . 12.7 t70 -88.44 157.95 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.189 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.45 -24.06 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -83.94 -1.36 54.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.327 0.584 . . . . 10.0 110.197 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.89 19.38 43.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.982 -0.627 . . . . 10.0 111.608 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.651 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 10.3 mm100 -85.57 145.55 27.31 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.514 HG22 HG22 ' A' ' 78' ' ' VAL . 24.2 pt -134.59 176.23 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.574 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.533 ' HB2' HD11 ' A' ' 120' ' ' LEU . 1.3 m -137.85 102.93 4.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.621 -0.718 . . . . 99.99 109.121 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.56 ' HB3' HG12 ' A' ' 89' ' ' ILE . 3.3 tp -118.37 116.77 35.16 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.846 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 24.3 Cg_exo -64.9 -0.26 3.08 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.197 2.598 . . . . 10.0 113.301 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -95.04 -25.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.726 0.298 . . . . 10.0 111.234 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.56 HG12 ' HB3' ' A' ' 86' ' ' LEU . 8.8 pt -104.6 -27.43 3.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.982 -0.287 . . . . 10.0 111.367 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.8 p -51.95 142.36 15.81 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.367 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -7.58 1.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -71.96 -28.23 63.3 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.344 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -153.63 41.3 0.53 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.058 0.456 . . . . 10.0 111.634 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -83.27 127.99 34.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.041 0.448 . . . . 10.0 111.455 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -122.24 122.59 27.45 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.466 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.88 -18.09 47.54 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.301 2.668 . . . . 10.0 113.424 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.4 p -78.34 -12.03 59.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 10.0 111.301 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -80.43 134.52 36.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.591 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -90.48 161.47 15.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.416 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -64.89 -27.76 69.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.157 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.74 -37.5 86.83 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.166 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -70.9 -35.67 72.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.818 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.91 -46.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.856 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.476 HD21 HD11 ' A' ' 54' ' ' ILE . 80.7 mt -62.37 -33.22 74.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.485 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 109' ' ' VAL . 32.2 tt0 -65.66 -49.71 67.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.672 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.15 -39.49 90.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.983 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.99 -48.79 80.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.906 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -57.44 -39.95 77.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.659 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 105' ' ' GLU . 90.8 t -63.78 -48.4 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.187 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.52 -31.99 73.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 10.0 112.007 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.7 t -72.21 -48.24 49.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.691 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -73.81 -31.38 63.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.983 0.42 . . . . 10.0 111.682 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -119.54 95.39 49.21 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.11 122.4 9.48 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.977 2.451 . . . . 10.0 113.265 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -79.25 92.29 5.1 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.7 pt -72.96 -10.68 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 10.0 112.002 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -74.64 -42.47 58.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -134.99 77.34 56.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.951 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.413 ' HA ' ' ND2' ' A' ' 77' ' ' ASN . 63.1 Cg_endo -97.15 177.89 0.5 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.284 2.656 . . . . 10.0 112.433 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.8 mp -100.87 -43.29 6.13 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.402 ' HD3' HD22 ' A' ' 124' ' ' LEU . 9.5 mtp180 -101.75 103.63 14.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.196 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.7 mtp -56.75 -44.63 81.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.996 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -57.49 -48.33 79.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.504 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.541 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 6.6 mp -64.83 -39.83 94.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.618 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.66 74.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.966 0.412 . . . . 10.0 110.571 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 9.0 t0 -60.11 -53.05 62.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.615 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.576 HD11 HD23 ' A' ' 134' ' ' LEU . 12.9 tp -55.64 -45.47 77.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.224 -0.898 . . . . 10.0 112.048 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.401 HD13 ' CD2' ' A' ' 135' ' ' PHE . 67.4 tp -62.4 -31.96 72.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 10.0 111.628 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.9 m -79.76 -26.47 40.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.056 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 22.0 mm-40 -87.44 -51.66 5.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.244 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -140.77 106.63 6.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.724 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.13 -35.78 51.15 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.688 2.259 . . . . 10.0 112.103 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.484 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 38.4 tp10 -68.78 -39.37 80.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.177 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.576 HD23 HD11 ' A' ' 127' ' ' LEU . 12.7 tp -62.65 -42.69 99.75 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.95 0.405 . . . . 10.0 110.356 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.541 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 88.7 t80 -70.29 -39.12 75.06 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -58.6 -48.25 81.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.833 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.484 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 64.6 mttm -58.42 -43.31 88.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.995 0.426 . . . . 10.0 110.796 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -66.25 -50.43 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.64 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.84 91.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.82 -50.43 73.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 10.0 109.972 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -56.72 -46.19 81.43 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.395 -0.82 . . . . 10.0 110.544 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.551 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -66.35 -40.87 90.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.119 -179.281 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.516 HG22 ' HB2' ' A' ' 48' ' ' LYS . 27.3 m -63.89 -35.92 82.22 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.292 0.568 . . . . 10.0 111.097 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.0 mt -90.6 10.62 24.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.826 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -119.36 -49.1 2.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.269 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -121.91 33.74 5.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.96 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -112.72 151.77 18.1 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.148 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.523 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 10.5 t -80.84 156.65 4.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.47 150.65 26.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.796 0.331 . . . . 10.0 111.679 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.498 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 10.9 tpt180 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.015 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -97.27 128.77 44.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.515 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -130.74 165.97 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' B' ' 66' ' ' THR . 98.6 m-85 -122.9 130.7 53.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.737 0.303 . . . . 10.0 110.853 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 t -115.08 111.61 36.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -101.4 128.43 47.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.925 0.393 . . . . 10.0 110.915 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.412 HG22 HD23 ' B' ' 69' ' ' LEU . 21.5 p -94.22 175.57 6.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.278 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.658 HD11 HG13 ' B' ' 70' ' ' VAL . 91.6 mt -73.55 -8.34 55.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.806 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.9 p -97.28 2.73 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.035 0.445 . . . . 10.0 111.06 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.28 -9.87 71.26 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.974 -0.631 . . . . 10.0 112.171 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -70.73 102.96 2.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.066 0.46 . . . . 10.0 110.091 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -96.7 110.4 22.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.023 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 27.2 pt -104.58 140.46 22.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.17 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 146.37 28.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' B' ' 29' ' ' LYS . 14.9 tp -136.19 133.5 37.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.147 0.499 . . . . 10.0 111.5 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -100.3 103.33 14.75 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.311 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.5 m -140.05 156.05 24.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.752 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.1 mm-40 -104.3 162.75 18.94 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.16 -26.15 58.91 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.089 1.86 . . . . 10.0 111.227 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.47 -10.99 59.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.343 -0.844 . . . . 10.0 112.108 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.6 OUTLIER -68.55 130.76 43.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.994 0.426 . . . . 10.0 111.093 -179.425 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.0 OUTLIER -80.04 152.38 29.43 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.746 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.566 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 41.0 mm -56.72 -36.58 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.989 0.423 . . . . 10.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.467 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 1.4 tt0 -61.53 -41.68 97.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.196 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.17 -34.76 78.23 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.081 0.467 . . . . 10.0 109.858 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.05 -45.16 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.219 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.45 -37.1 85.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.936 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.95 98.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.415 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.436 ' HB3' HD11 ' B' ' 15' ' ' LEU . 99.0 mttt -66.91 -35.24 79.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.818 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.54 -40.16 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -67.04 -26.63 66.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.3 0.572 . . . . 10.0 109.705 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.18 -45.48 73.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -85.85 -54.76 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.007 0.743 . . . . 10.0 113.007 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -79.23 -55.33 5.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.069 0.461 . . . . 10.0 111.746 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.22 -6.12 15.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.279 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 40.8 mt -66.57 121.74 78.65 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 38.7 Cg_exo -62.17 140.72 85.11 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.568 2.179 . . . . 10.0 111.265 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.5 Cg_exo -55.45 -23.21 37.73 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.189 2.593 . . . . 10.0 112.437 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.93 -32.24 73.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.989 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.58 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 50.4 mt-30 -99.82 3.41 44.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.201 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -91.28 97.56 11.19 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.103 0.408 . . . . 10.0 112.103 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.435 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 30.5 ttt180 -98.1 88.8 4.31 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.703 ' HB3' HD12 ' B' ' 50' ' ' LEU . 39.6 mt -80.71 120.98 25.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.996 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.54 129.32 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.598 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.588 ' HB3' HD21 ' B' ' 50' ' ' LEU . 61.8 t80 -131.15 120.87 23.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.933 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.04 19.17 5.73 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.12 0.785 . . . . 10.0 113.12 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.57 -4.7 50.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.027 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -110.45 149.28 30.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 10.0 111.222 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -84.65 130.32 34.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.605 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' B' ' 43' ' ' LEU . 79.2 mt -79.54 109.58 14.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.116 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -79.03 130.12 35.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.2 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.566 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 17.7 m-20 -53.0 -34.3 55.64 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.16 -13.69 82.52 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.858 -0.687 . . . . 10.0 114.18 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.408 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 3.1 mmp_? -97.55 163.8 12.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.299 0.549 . . . . 10.0 111.401 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 76.6 p -102.34 177.79 4.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 mt -69.25 -32.62 71.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.998 0.427 . . . . 10.0 110.225 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -14.85 63.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.38 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.5 m-20 -70.45 -27.73 64.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.652 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -112.35 10.54 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.182 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.403 HD22 ' HA ' ' B' ' 60' ' ' ASN . 1.9 t-20 59.72 41.55 18.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.407 0.622 . . . . 10.0 111.175 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.4 mt -75.58 122.68 29.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.833 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -104.39 -173.9 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.916 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 151.84 41.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.347 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 66.22 16.85 10.58 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.116 0.784 . . . . 10.0 113.116 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.5 m -77.87 139.61 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.245 -0.28 . . . . 10.0 110.245 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.1 m -102.84 116.75 33.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.138 0.494 . . . . 10.0 111.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 49.5 mt -94.28 150.39 20.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.095 -0.706 . . . . 10.0 109.095 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -105.33 114.82 29.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.412 HD23 HG22 ' B' ' 7' ' ' THR . 46.7 tp -96.68 108.15 20.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.032 0.444 . . . . 10.0 111.259 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.658 HG13 HD11 ' B' ' 8' ' ' LEU . 11.1 t -97.62 130.05 46.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.314 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 33.2 tp -76.58 140.67 41.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.58 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 29.9 ttp85 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.572 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.402 ' HB1' ' HB3' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.805 0.336 . . . . 10.0 110.988 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -25.18 65.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 10.0 112.003 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.6 ttt -53.49 -46.31 69.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.567 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.409 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 12.2 ttp180 -79.11 -36.86 40.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.894 -0.323 . . . . 10.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -55.3 -47.86 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.537 . . . . 10.0 111.424 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.29 -41.01 89.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.909 0.385 . . . . 10.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -66.53 -43.87 83.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.057 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.94 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.503 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 44.0 tp -59.61 -50.96 71.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.94 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.534 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 12.6 tt0 -57.41 -48.05 80.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.347 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.38 -43.61 93.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.687 HD21 ' HB3' ' A' ' 101' ' ' CYS . 28.1 mt -67.67 -25.43 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.517 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -79.25 -17.06 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 10.0 110.498 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.534 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 76.9 mttt -81.15 -48.37 12.22 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -124.41 73.77 60.29 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.92 130.45 8.52 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.661 2.241 . . . . 10.0 111.178 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.84 149.82 81.29 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.615 2.21 . . . . 10.0 111.095 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.48 -27.86 51.74 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 123.014 2.476 . . . . 10.0 113.611 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -88.78 2.28 53.77 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 tp -123.89 113.41 18.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 10.0 110.185 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -122.88 158.14 30.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.437 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 56.6 32.91 21.81 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.945 0.72 . . . . 10.0 112.945 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.8 tp -65.47 109.19 2.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.119 0.485 . . . . 10.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -147.11 168.4 21.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.783 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 p -96.08 160.47 14.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.246 -0.434 . . . . 10.0 109.907 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.457 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 11.1 t70 -63.88 146.3 54.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.96 -18.53 64.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.361 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.55 -1.88 11.59 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.046 0.758 . . . . 10.0 113.046 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -157.54 130.99 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 10.0 111.323 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -79.86 -17.97 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -82.89 3.88 27.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 10.0 111.783 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 61.4 t -121.98 121.54 64.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.804 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 44.5 m0 -105.07 146.0 29.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.196 0.522 . . . . 10.0 111.942 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -124.29 121.67 35.65 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.908 -1.145 . . . . 10.0 107.908 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.32 155.86 40.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.954 0.406 . . . . 10.0 111.719 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.3 mt -106.51 122.16 45.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.869 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.2 tp -93.03 131.9 37.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.6 mp -113.0 94.37 29.55 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HB2' ' HB2' ' A' ' 45' ' ' TYR . 11.2 Cg_exo -72.12 150.31 53.72 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.675 2.25 . . . . 10.0 111.33 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -97.9 -36.19 10.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.904 0.383 . . . . 10.0 111.266 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.8 tp-100 -60.95 128.79 89.64 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.143 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 16.0 Cg_exo -69.57 148.73 66.94 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.658 2.239 . . . . 10.0 110.998 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -96.33 23.46 25.15 Favored 'Cis proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.719 -1.367 . . . . 10.0 112.279 0.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 40' ' ' PRO . 46.2 m-85 -69.8 -9.02 53.08 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.409 0.623 . . . . 10.0 110.291 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -74.32 -15.5 60.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.417 -0.811 . . . . 10.0 110.676 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.427 HD11 ' HG3' ' A' ' 140' ' ' GLU . 81.5 mt -65.38 -44.86 86.24 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.686 0.624 . . . . 10.0 112.686 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 71.3 mmtt -132.26 -162.78 1.26 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.852 0.358 . . . . 10.0 111.322 -178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.49 167.94 15.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.405 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -132.52 132.87 43.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 10.0 111.05 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -88.75 131.61 34.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.566 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 pp -118.13 150.59 39.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.091 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -116.0 114.78 25.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.804 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 52.5 mt -98.96 108.66 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -104.19 111.87 24.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.917 0.389 . . . . 10.0 110.877 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -84.78 133.74 43.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.699 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.622 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 84.1 Cg_endo -79.84 154.5 23.14 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.664 2.242 . . . . 10.0 111.193 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -63.17 -15.06 45.66 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.701 2.267 . . . . 10.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.733 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 20.1 mp0 -93.94 8.9 39.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.549 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 23.0 t80 -60.19 141.64 90.46 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 65.1 Cg_endo -97.2 27.87 17.25 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 124.315 -1.119 . . . . 10.0 113.217 0.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -85.62 -12.74 50.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.367 0.603 . . . . 10.0 109.854 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.843 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -122.96 137.03 27.5 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.23 -0.895 . . . . 10.0 109.113 179.266 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.843 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 37.9 Cg_endo -66.67 139.75 53.97 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.675 2.25 . . . . 10.0 112.689 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.622 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 57.6 Cg_endo -73.21 145.2 38.55 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.673 2.249 . . . . 10.0 111.219 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 76.2 mtm -94.66 109.75 21.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.554 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.557 HG12 HG23 ' A' ' 54' ' ' ILE . 51.4 mt -110.16 126.68 67.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.579 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -137.28 158.45 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.657 179.023 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -90.89 120.04 31.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.71 0.291 . . . . 10.0 111.589 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -66.52 -45.61 78.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.319 -0.993 . . . . 10.0 108.319 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.05 145.9 26.3 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.307 -0.861 . . . . 10.0 108.686 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -82.01 132.79 35.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.95 0.405 . . . . 10.0 111.936 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.6 tt -125.07 128.31 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.539 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -76.42 80.35 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.987 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.474 ' HB3' HG23 ' A' ' 78' ' ' VAL . 17.9 t-80 -130.6 136.34 28.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.211 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.586 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 28.2 Cg_endo -62.04 -9.47 14.7 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.365 2.71 . . . . 10.0 114.034 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -113.67 18.05 17.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.9 0.381 . . . . 10.0 110.777 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 75' ' ' HIS . 48.0 t -129.24 139.7 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -82.19 169.05 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.121 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.1 -24.98 67.45 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.455 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 11.3 t30 -84.68 -39.91 18.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 10.0 111.204 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.33 18.33 1.18 Allowed Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.919 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.45 146.63 25.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 10.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.4 HG22 HG22 ' A' ' 78' ' ' VAL . 1.8 pp -132.47 158.09 43.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.438 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.572 ' HB2' HD11 ' A' ' 120' ' ' LEU . 33.5 m -115.63 101.45 8.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.063 0.459 . . . . 99.99 109.981 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' A' ' 86' ' ' LEU . 5.9 tp -107.51 111.72 62.74 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.3 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.447 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 31.8 Cg_exo -59.95 -15.95 35.96 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.215 2.61 . . . . 10.0 113.529 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 tt -75.93 -20.15 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.983 0.42 . . . . 10.0 111.161 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 pt -129.02 32.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.318 0.58 . . . . 10.0 109.554 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.3 p -83.12 161.45 21.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.11 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -68.23 -17.67 64.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.264 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -103.22 -17.53 15.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.325 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 87' ' ' PRO . 15.2 m-80 -137.55 97.57 3.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 35.4 t-105 -149.78 133.99 17.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.215 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 47.2 mtpt -131.87 123.4 19.07 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.724 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 31.4 Cg_exo -61.16 -20.01 66.04 Favored 'Trans proline' 0 N--CA 1.475 0.423 0 C-N-CA 123.127 2.551 . . . . 10.0 112.92 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -74.26 -13.31 60.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.197 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.5 m -81.78 133.59 35.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.284 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 51.6 mtpt -103.52 166.31 10.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.682 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m -58.91 -32.09 69.22 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.687 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -60.51 -32.65 71.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.934 0.397 . . . . 10.0 111.504 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -78.64 -39.37 37.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.008 0.432 . . . . 10.0 110.283 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.3 -43.94 97.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.084 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.492 HD21 HD11 ' A' ' 54' ' ' ILE . 69.2 mt -62.25 -37.11 84.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.192 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 109' ' ' VAL . 32.0 tt0 -66.43 -47.56 72.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.01 94.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.362 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.38 -46.86 88.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.375 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.27 -41.33 84.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.741 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 105' ' ' GLU . 65.8 t -65.52 -43.59 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.047 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.11 -34.73 76.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.934 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -72.69 -45.15 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.038 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.476 ' O ' ' HD3' ' A' ' 114' ' ' PRO . 48.3 m-80 -73.28 -32.76 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.984 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -106.9 97.63 18.34 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.533 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 112' ' ' ASN . 12.5 Cg_exo -70.48 108.93 2.33 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.731 2.287 . . . . 10.0 112.079 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -78.7 107.71 11.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.484 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 36.3 pt -90.45 -6.98 10.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.712 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -50.6 9.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.247 0.546 . . . . 10.0 109.789 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -126.67 74.22 75.0 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.014 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -98.11 177.66 0.43 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.165 2.577 . . . . 10.0 112.836 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 85' ' ' CYS . 10.2 mp -100.1 -26.74 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.109 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.508 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 18.2 mtp180 -121.82 103.27 8.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.189 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.426 ' HB2' HG21 ' B' ' 9' ' ' THR . 89.9 mtp -65.16 -31.38 72.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.933 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 21.7 p-10 -62.87 -47.97 81.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.079 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.12 -36.97 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.392 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.8 80.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.068 0.461 . . . . 10.0 110.522 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 17.5 t70 -65.34 -45.99 82.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.03 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.651 HD11 HD23 ' A' ' 134' ' ' LEU . 42.9 tp -57.91 -44.71 86.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.893 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.22 -30.97 70.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.514 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.3 m -84.37 -30.51 25.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.239 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 61.1 mm-40 -78.51 -49.35 13.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.781 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -145.31 99.51 4.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.196 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.47 -34.41 86.05 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.888 2.392 . . . . 10.0 111.684 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -66.3 -45.29 80.9 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.546 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.651 HD23 HD11 ' A' ' 127' ' ' LEU . 17.9 tp -61.15 -40.19 92.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.988 0.423 . . . . 10.0 110.242 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.586 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 68.3 t80 -67.24 -47.98 69.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.743 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -60.13 -41.73 93.31 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.635 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -61.05 -47.08 88.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.619 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -65.0 -47.11 78.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.645 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.2 -34.55 78.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.513 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.427 ' HG3' HD11 ' A' ' 47' ' ' LEU . 44.4 tt0 -58.47 -49.09 78.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.638 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.73 -45.2 90.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.424 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -60.67 -43.11 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.86 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.9 m -64.45 -35.9 82.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 10.0 111.147 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.0 mt -87.68 1.96 52.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.329 0.585 . . . . 10.0 110.91 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -105.63 -50.17 3.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -125.95 57.64 1.37 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.312 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -127.91 150.32 18.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.781 -0.723 . . . . 10.0 111.572 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 31.3 t -83.2 151.38 4.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -61.99 132.24 52.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.761 0.315 . . . . 10.0 110.693 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 150' ' ' ARG . 19.7 ttt180 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.921 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 121.121 0.486 . . . . 10.0 110.791 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -94.3 126.98 39.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.552 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -120.54 168.34 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.804 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.558 ' HE1' ' HG3' ' B' ' 64' ' ' GLU . 97.0 m-85 -121.23 131.92 54.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.741 0.305 . . . . 10.0 110.512 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.489 ' HB ' HG13 ' B' ' 13' ' ' ILE . 39.7 t -112.59 114.04 45.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -107.27 126.97 53.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.331 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.9 p -90.0 165.52 14.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.229 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.656 HD11 HG13 ' B' ' 70' ' ' VAL . 82.3 mt -64.77 -17.32 64.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.949 0.404 . . . . 10.0 111.083 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.426 HG21 ' HB2' ' A' ' 122' ' ' MET . 0.2 OUTLIER -86.14 -9.74 56.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.96 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.32 -28.06 14.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.477 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -55.84 118.75 4.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.741 0.305 . . . . 10.0 110.472 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -114.92 128.86 56.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.077 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.489 HG13 ' HB ' ' B' ' 5' ' ' VAL . 15.9 pt -121.78 157.45 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.918 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.27 151.34 21.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.097 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' B' ' 29' ' ' LYS . 30.7 tp -144.87 134.47 23.35 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.981 0.42 . . . . 10.0 111.62 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -96.24 108.15 20.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.96 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.416 HG13 ' HG ' ' B' ' 15' ' ' LEU . 6.7 m -135.55 165.82 29.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.653 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 22.3 mm-40 -110.74 159.07 33.76 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.8 -20.79 70.47 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.227 1.951 . . . . 10.0 111.732 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -95.93 11.48 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.858 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -83.22 133.14 35.02 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.2 153.18 28.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.692 -0.231 . . . . 10.0 110.804 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.645 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.2 mm -57.6 -39.3 68.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.531 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.45 -38.28 86.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 10.0 110.504 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -69.36 -35.51 75.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.285 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.46 -43.48 98.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.564 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.622 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 90.1 mttt -59.23 -40.69 86.7 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.992 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.629 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.567 ' HB3' HD11 ' B' ' 15' ' ' LEU . 92.1 mttt -69.32 -32.85 72.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.585 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.15 -43.24 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.252 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -65.96 -32.93 74.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.009 0.433 . . . . 10.0 110.787 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -61.25 -40.51 94.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.915 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.514 ' HE3' HD13 ' B' ' 15' ' ' LEU . 6.2 ptpt -85.94 -44.72 12.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.618 0.599 . . . . 10.0 112.618 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -87.28 -74.14 0.45 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.78 0.324 . . . . 10.0 111.183 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.9 -24.7 1.78 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.68 -0.771 . . . . 10.0 112.177 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.0 mt -57.61 119.19 30.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 C-N-CA 122.451 0.301 . . . . 10.0 111.063 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.0 Cg_exo -57.41 141.22 94.88 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.856 2.37 . . . . 10.0 111.766 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.622 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 50.0 Cg_exo -56.39 -24.33 51.49 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.433 2.756 . . . . 10.0 112.622 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.83 -33.06 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 10.0 110.623 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.14 6.94 47.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.269 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -95.26 124.53 39.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.904 0.383 . . . . 10.0 111.179 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.746 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 64.8 ttt180 -120.37 99.36 6.53 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.681 ' HB3' HD12 ' B' ' 50' ' ' LEU . 67.9 mt -86.67 122.82 31.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.663 0.616 . . . . 10.0 112.663 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 25.4 mm -117.76 130.67 72.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.762 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.676 ' HB3' HD21 ' B' ' 50' ' ' LEU . 84.7 t80 -141.47 125.84 17.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.509 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.82 22.01 12.08 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.469 0.48 . . . . 10.0 112.282 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.08 0.74 82.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.126 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -111.29 152.89 26.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.149 -0.315 . . . . 10.0 110.149 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.7 129.16 36.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.681 HD12 ' HB3' ' B' ' 43' ' ' LEU . 65.7 mt -76.43 117.08 17.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.191 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.47 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 30.2 tt0 -75.81 125.77 29.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.212 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.645 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.0 OUTLIER -52.48 -33.39 44.51 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 -179.083 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.44 -2.16 90.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.884 -0.674 . . . . 10.0 113.768 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.47 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 3.2 mmp_? -98.71 169.35 9.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.127 0.463 . . . . 10.0 111.197 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.79 160.86 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.099 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.437 HD12 ' O ' ' B' ' 18' ' ' GLU . 64.6 mt -61.19 -27.65 68.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.09 0.472 . . . . 10.0 111.66 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -68.33 -28.64 67.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.824 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.42 -42.42 95.98 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.412 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -92.65 10.03 32.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.887 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 56.5 43.29 26.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.655 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -78.22 119.09 26.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -106.17 -165.57 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.063 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -73.83 149.3 41.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.328 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.558 ' HG3' ' HE1' ' B' ' 4' ' ' PHE . 1.0 OUTLIER 67.36 17.51 10.16 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.19 0.811 . . . . 10.0 113.19 179.342 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -75.85 136.76 40.18 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.3 m -103.34 106.93 17.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.068 0.461 . . . . 10.0 111.35 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 67.9 mt -84.64 145.98 27.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.381 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.402 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 48.8 m-70 -101.6 120.9 41.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 41.1 tp -102.09 114.36 28.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.18 0.514 . . . . 10.0 112.329 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.746 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 44.8 t -102.61 143.77 14.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 48.0 tp -94.49 121.73 36.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.821 0.343 . . . . 10.0 111.35 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.484 . . . . 10.0 109.701 179.075 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.626 ' HB1' ' HB3' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.596 0.236 . . . . 10.0 111.631 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.22 -33.6 63.22 Favored 'General case' 0 N--CA 1.461 0.078 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.8 ttm -51.37 -54.9 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.705 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -70.95 -37.41 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.028 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -56.58 -48.37 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.793 0.33 . . . . 10.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.4 t -65.31 -41.35 91.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.67 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -44.08 96.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.229 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.567 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.7 mt-10 -63.47 -48.1 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.413 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.599 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 52.9 tp -60.42 -45.53 93.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.664 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.9 -51.0 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.64 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.698 ' HA ' ' HD2' ' A' ' 15' ' ' LYS . 85.9 m-20 -69.69 -37.75 76.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.745 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 101' ' ' CYS . 51.8 mt -65.47 -29.86 70.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.395 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -75.04 -25.25 58.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.049 0.452 . . . . 10.0 110.549 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.698 ' HD2' ' HA ' ' A' ' 12' ' ' ASP . 73.2 mttt -76.74 -45.14 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.278 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -127.73 75.96 77.54 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.387 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 72.4 Cg_endo -81.45 141.57 12.64 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.505 2.137 . . . . 10.0 112.353 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 26.8 Cg_exo -64.18 148.82 91.19 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 123.026 2.484 . . . . 10.0 111.381 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 32.3 Cg_exo -60.65 -23.04 74.9 Favored 'Trans proline' 0 N--CA 1.47 0.116 0 C-N-CA 122.898 2.399 . . . . 10.0 112.637 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -94.02 6.13 49.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.5 tp -137.67 113.18 9.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 10.0 110.932 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -127.38 168.35 14.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.331 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m120 59.41 36.98 23.33 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.121 -0.491 . . . . 10.0 112.055 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.91 94.99 5.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.168 0.509 . . . . 10.0 110.274 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -124.22 157.73 34.12 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.464 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.47 160.28 25.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.005 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 29.6 t70 -70.94 145.32 50.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.968 0.413 . . . . 10.0 110.706 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -25.46 67.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.641 -0.709 . . . . 10.0 112.455 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.71 -42.17 4.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.046 0.758 . . . . 10.0 113.046 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.712 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 36.3 t-20 -124.3 125.19 43.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.031 0.444 . . . . 10.0 112.16 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.91 -14.27 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.245 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.2 mt -82.79 -1.02 50.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.236 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.461 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 43.2 t -115.39 122.46 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.613 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 44.9 m0 -106.66 146.7 30.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.816 0.341 . . . . 10.0 111.341 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -126.78 118.74 25.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.053 -1.091 . . . . 10.0 108.053 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.56 156.38 45.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.02 0.438 . . . . 10.0 111.909 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.9 mt -105.51 118.16 35.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.057 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 19.7 tp -88.43 131.63 34.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.761 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -110.65 93.98 18.23 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.706 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 3.2 Cg_exo -76.94 142.03 21.82 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.492 2.128 . . . . 10.0 110.025 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.16 -20.41 17.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.047 0.451 . . . . 10.0 111.329 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 7.8 tp-100 -65.88 129.18 94.24 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.045 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 19.7 Cg_exo -67.49 143.33 62.67 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.693 2.262 . . . . 10.0 110.86 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.431 ' HG3' ' O ' ' A' ' 136' ' ' ARG . 43.5 Cg_endo -97.93 14.03 32.27 Favored 'Cis proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.676 -1.385 . . . . 10.0 111.955 -0.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -61.17 -22.08 64.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.773 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -68.07 -8.49 38.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.212 0.819 . . . . 10.0 113.212 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.534 ' HB3' HD21 ' A' ' 144' ' ' LEU . 86.0 mt -75.07 -27.51 59.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.282 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 143' ' ' THR . 7.9 mmtt -138.28 -167.6 2.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.372 -0.377 . . . . 10.0 110.767 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -131.38 156.23 45.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -124.71 133.32 53.24 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.85 0.357 . . . . 10.0 111.163 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -88.14 134.12 33.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.055 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 pp -119.9 149.85 41.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.667 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.76 118.49 33.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.488 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.756 HG23 HG12 ' A' ' 67' ' ' ILE . 37.5 mt -102.9 115.21 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -108.66 112.72 25.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.935 0.397 . . . . 10.0 111.076 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -89.63 130.0 44.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.024 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 75.3 Cg_endo -80.96 148.48 17.26 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.515 2.143 . . . . 10.0 110.82 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -58.76 -21.12 54.9 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 122.501 2.134 . . . . 10.0 112.7 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.46 12.13 13.0 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.294 -0.254 . . . . 10.0 111.654 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.626 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 36.2 t80 -59.88 139.89 90.23 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.502 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 90.1 Cg_endo -100.02 28.05 14.68 Favored 'Cis proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.193 -1.17 . . . . 10.0 113.057 0.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -73.71 -24.1 59.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -118.85 140.88 29.16 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 114.996 -1.002 . . . . 10.0 108.642 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.77 139.15 36.1 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 2.272 . . . . 10.0 113.378 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.507 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 57.0 Cg_endo -73.86 128.97 12.9 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.597 2.198 . . . . 10.0 110.678 178.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.9 mtm -80.74 118.28 22.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.923 0.392 . . . . 10.0 111.287 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.756 HG12 HG23 ' A' ' 54' ' ' ILE . 52.5 mt -116.25 121.7 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.826 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -135.74 158.86 43.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.094 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -85.15 139.89 31.35 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.271 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.26 -28.52 14.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.185 0.517 . . . . 10.0 109.839 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -89.91 156.34 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.37 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -79.41 97.81 6.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.837 0.351 . . . . 10.0 111.634 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.2 tt -108.29 115.25 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.163 0.506 . . . . 10.0 111.195 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 83.6 5.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.233 0.54 . . . . 10.0 110.263 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.42 ' CD2' ' HD2' ' A' ' 76' ' ' PRO . 20.0 t-80 -123.76 137.63 29.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.804 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.496 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 19.4 Cg_endo -60.74 -5.69 4.89 Favored 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 123.329 2.686 . . . . 10.0 113.941 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.758 HD21 ' HB3' ' A' ' 115' ' ' ASN . 17.9 m120 -121.09 18.35 11.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.935 0.398 . . . . 10.0 110.415 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.422 HG22 HG22 ' A' ' 84' ' ' ILE . 59.9 t -133.58 137.48 52.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.822 -0.627 . . . . 10.0 109.465 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -85.55 167.31 15.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.325 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.1 -29.19 67.18 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 113.232 0.826 . . . . 10.0 113.232 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.425 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -82.76 -20.65 35.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.107 0.479 . . . . 10.0 110.422 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.1 17.39 10.19 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.257 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -88.19 152.3 22.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.597 0.237 . . . . 10.0 110.458 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.422 HG22 HG22 ' A' ' 78' ' ' VAL . 19.3 pt -135.15 -174.6 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.518 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.723 ' HB2' HD11 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -138.25 101.5 4.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.72 -0.673 . . . . 99.99 109.198 178.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.762 ' HG ' HG22 ' A' ' 88' ' ' ILE . 10.6 tp -112.65 111.78 51.5 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 121.169 0.509 . . . . 10.0 110.737 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.77 -27.56 53.03 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.33 2.687 . . . . 10.0 113.679 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.762 HG22 ' HG ' ' A' ' 86' ' ' LEU . 14.4 tt -68.73 -23.69 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.525 HG12 ' HB3' ' A' ' 86' ' ' LEU . 24.2 pt -116.87 12.29 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.928 -0.309 . . . . 10.0 111.474 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.3 p -67.45 145.6 54.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.284 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 p -61.12 -17.68 54.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.295 0.48 . . . . 10.0 112.295 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -97.34 -7.0 32.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -142.66 39.68 1.53 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 122.236 -0.29 . . . . 10.0 111.589 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -97.94 136.69 37.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.201 0.524 . . . . 10.0 112.128 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 97' ' ' CYS . 11.8 ptpt -136.19 125.42 15.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.575 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.57 -14.85 27.8 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.644 2.896 . . . . 10.0 114.221 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -76.16 -11.82 59.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.781 0.324 . . . . 10.0 111.398 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.533 ' OG1' ' HG3' ' A' ' 95' ' ' LYS . 1.5 m -82.1 134.79 35.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.812 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.567 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 54.0 mtpt -103.34 167.62 9.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.37 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.8 m -59.87 -35.78 75.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.937 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.448 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.77 -34.89 75.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.556 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -75.87 -32.57 59.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.094 0.473 . . . . 10.0 110.361 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.39 -47.33 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.136 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.76 -29.96 71.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.451 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 10.5 tt0 -64.32 -50.25 68.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.655 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.3 75.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.666 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 111' ' ' VAL . 66.3 tp -62.91 -47.98 80.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.333 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -56.83 -35.51 68.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.898 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 105' ' ' GLU . 48.5 t -62.67 -51.95 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.831 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 110' ' ' LEU . 16.3 mt -67.61 -27.4 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 107' ' ' LEU . 54.4 t -70.26 -50.88 43.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.73 0.3 . . . . 10.0 110.419 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -77.06 -34.17 57.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.661 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 114' ' ' PRO . 24.1 mmm180 -114.56 98.46 49.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.846 -0.428 . . . . 10.0 109.846 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 113' ' ' ARG . 37.6 Cg_endo -65.72 155.21 70.32 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.604 2.202 . . . . 10.0 112.472 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.758 ' HB3' HD21 ' A' ' 77' ' ' ASN . 52.8 t-20 -100.34 119.3 38.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.755 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.8 pt -97.47 4.12 9.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 119' ' ' PRO . 9.9 mtm180 -107.22 -55.29 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.093 0.473 . . . . 10.0 109.805 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.25 74.84 15.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.157 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 117' ' ' ARG . 89.5 Cg_endo -96.37 179.01 0.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.071 2.514 . . . . 10.0 112.034 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 85' ' ' CYS . 7.8 mp -106.26 -24.37 12.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.918 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.496 ' HB2' ' HA ' ' A' ' 76' ' ' PRO . 14.0 mtp180 -124.12 106.19 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 98.2 mtp -69.23 -28.87 66.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.734 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.475 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 21.8 p-10 -65.04 -50.66 65.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.343 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 mp -71.26 -35.72 71.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.765 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.83 -48.27 79.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.916 0.389 . . . . 10.0 110.475 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.02 -38.78 89.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.291 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.573 ' HG ' ' HB2' ' A' ' 135' ' ' PHE . 53.9 tp -58.08 -48.04 81.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.947 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.4 tp -65.86 -38.08 87.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.385 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.4 m -68.52 -32.25 72.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.686 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -88.03 -52.92 5.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -136.29 98.06 11.57 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.743 0.306 . . . . 10.0 110.832 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.94 -35.7 65.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.84 2.36 . . . . 10.0 111.824 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -67.26 -43.66 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.152 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.6 tp -63.51 -41.49 98.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.573 ' HB2' ' HG ' ' A' ' 127' ' ' LEU . 81.8 t80 -65.82 -43.42 88.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.695 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 44' ' ' PRO . 44.7 ttp85 -61.28 -47.25 86.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.553 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -43.35 96.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.97 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -60.82 -47.45 86.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.737 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.05 66.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.233 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.52 -48.46 80.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.508 -0.314 . . . . 10.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 4.7 tt0 -60.92 -45.94 92.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.075 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -59.45 -45.19 92.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.388 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.55 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 16.2 m -61.82 -40.29 94.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.117 0.484 . . . . 10.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' A' ' 47' ' ' LEU . 90.2 mt -89.51 14.01 12.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.68 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 52.6 ttt180 -122.23 -50.8 2.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.979 0.418 . . . . 10.0 110.673 -179.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 71' ' ' THR . 52.1 m-85 -119.3 35.82 4.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.981 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -122.82 140.75 13.44 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.699 -0.763 . . . . 10.0 112.651 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 26.3 t -67.5 141.79 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -56.74 139.71 49.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.647 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 11.3 tpt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.397 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.885 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.3 ptt? . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.836 0.351 . . . . 10.0 110.672 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -97.76 130.68 44.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.077 0.465 . . . . 10.0 111.75 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -121.46 164.15 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' B' ' 66' ' ' THR . 42.4 m-85 -116.89 127.64 54.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.865 0.364 . . . . 10.0 111.158 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.457 ' HB ' HG13 ' B' ' 13' ' ' ILE . 22.0 t -109.98 115.44 49.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.916 -0.772 . . . . 10.0 108.916 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -107.26 133.03 52.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.771 0.319 . . . . 10.0 111.032 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 20.5 p -89.62 -171.83 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.245 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 78.8 mt -81.07 -17.69 49.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.125 0.417 . . . . 10.0 112.125 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.412 HG21 ' H ' ' A' ' 123' ' ' ASP . 16.6 p -94.73 1.94 55.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 10.0 111.814 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.5 -15.79 61.56 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.609 -0.805 . . . . 10.0 112.759 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -60.5 113.12 2.26 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.81 -0.441 . . . . 10.0 109.81 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -110.42 121.24 44.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.839 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.457 HG13 ' HB ' ' B' ' 5' ' ' VAL . 25.2 pt -110.49 148.62 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.052 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.37 148.72 22.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.879 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' B' ' 29' ' ' LYS . 14.7 tp -144.1 127.75 17.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.957 0.408 . . . . 10.0 111.159 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -96.49 108.6 21.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.49 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.452 HG12 ' NZ ' ' B' ' 29' ' ' LYS . 16.0 m -135.92 -175.99 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.704 -178.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.454 ' HG3' ' HD2' ' B' ' 19' ' ' PRO . 0.9 OUTLIER -134.35 157.11 78.2 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 179.024 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.454 ' HD2' ' HG3' ' B' ' 18' ' ' GLU . 76.1 Cg_exo -52.6 -35.37 67.16 Favored 'Trans proline' 0 N--CA 1.474 0.339 0 C-N-CA 122.571 2.181 . . . . 10.0 113.161 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -75.1 -0.16 18.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.72 129.05 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.944 0.402 . . . . 10.0 111.416 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.49 ' HB ' ' HG3' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -77.66 145.51 36.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 mm -54.83 -38.08 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 10.0 111.793 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -61.35 -34.76 75.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.869 0.366 . . . . 10.0 110.832 178.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.81 -36.92 70.41 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.57 -43.08 96.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.293 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -59.7 -40.2 87.13 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.608 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.86 92.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.143 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.688 ' HB3' HD11 ' B' ' 15' ' ' LEU . 96.5 mttt -66.48 -35.6 80.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.786 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.48 -41.06 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.538 -0.541 . . . . 10.0 109.538 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.44 -30.11 68.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.339 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.59 -40.81 84.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.46 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.486 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 4.5 ptpt -93.69 -45.66 7.6 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -85.01 -63.76 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 10.0 111.378 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.64 -13.73 6.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.354 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 mt -59.75 121.35 57.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 122.306 0.242 . . . . 10.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 38.1 Cg_exo -59.37 139.58 90.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.906 2.404 . . . . 10.0 111.585 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.6 Cg_exo -54.62 -28.99 58.65 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.366 2.711 . . . . 10.0 112.986 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.83 -26.6 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.082 0.468 . . . . 10.0 110.73 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.546 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 10.7 mt-30 -101.68 9.59 40.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.074 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -99.89 109.83 22.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.655 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 28.3 ttt180 -111.29 92.08 3.9 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.426 ' HB3' HD12 ' B' ' 50' ' ' LEU . 53.0 mt -81.3 121.62 26.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.843 -0.617 . . . . 10.0 112.051 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.3 mm -116.38 125.05 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.16 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.625 ' HB3' HD21 ' B' ' 50' ' ' LEU . 87.2 t80 -139.74 131.95 28.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.266 -0.425 . . . . 10.0 109.953 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.59 31.6 21.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.516 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.51 7.19 85.29 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.801 -0.636 . . . . 10.0 113.246 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -121.84 153.55 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 10.0 111.179 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -87.41 128.13 35.21 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' B' ' 45' ' ' PHE . 65.5 mt -75.41 115.94 15.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.196 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.83 132.38 41.49 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.246 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 3.6 m-20 -52.62 -40.48 62.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.618 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.79 -4.21 85.03 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.892 -0.67 . . . . 10.0 114.648 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.492 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 0.4 OUTLIER -98.87 167.35 10.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.51 0.655 . . . . 10.0 111.475 -179.364 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -106.83 172.63 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.537 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 85.6 mt -67.29 -39.9 86.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.217 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -24.93 67.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.75 0.309 . . . . 10.0 111.572 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.492 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 66.9 m-20 -63.65 -30.69 71.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.2 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -109.23 11.78 25.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.761 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 61.91 39.87 13.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.536 0.684 . . . . 10.0 110.927 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.537 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 56.2 mt -87.35 104.33 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.814 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -105.0 -171.23 1.88 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.953 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.885 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 16.1 pttp -70.48 161.09 31.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.491 0.186 . . . . 10.0 110.99 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 70.65 5.74 5.54 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -84.6 149.66 25.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.722 0.296 . . . . 10.0 110.617 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 7.6 m -114.39 122.16 45.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.992 0.425 . . . . 10.0 110.827 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 46.2 mt -99.24 145.38 27.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.04 -0.527 . . . . 10.0 109.931 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -99.1 119.45 37.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.4 tp -100.82 105.37 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.198 0.523 . . . . 10.0 111.597 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.655 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 57.8 t -91.84 127.18 44.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.434 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 54.5 tp -75.64 109.52 9.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.546 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 11.4 ttp85 . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.034 0.445 . . . . 10.0 110.773 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.563 0.209 . . . . 10.0 111.563 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -58.8 -38.11 77.83 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -47.52 72.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.362 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -69.97 -39.34 76.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.581 -0.281 . . . . 10.0 111.039 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 83.9 t -56.88 -47.66 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.993 0.425 . . . . 10.0 110.57 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.35 -42.14 92.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.55 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -42.98 94.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.727 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.33 -37.72 88.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.461 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.73 -48.75 79.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.08 -32.48 74.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.523 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.37 -47.66 78.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.489 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.816 HD21 ' HB3' ' A' ' 101' ' ' CYS . 37.4 mt -76.73 -33.97 58.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.561 -0.745 . . . . 10.0 112.595 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -69.62 -22.96 63.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.93 0.344 . . . . 10.0 111.93 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -75.97 -31.56 59.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.808 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -154.47 83.69 4.03 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.164 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 4.3 Cg_exo -77.54 147.31 25.1 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.124 2.549 . . . . 10.0 112.538 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 39.6 Cg_exo -62.25 147.89 94.19 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.756 2.304 . . . . 10.0 111.019 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 53.0 Cg_exo -57.28 -25.27 64.16 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 123.042 2.495 . . . . 10.0 113.247 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' A' ' 105' ' ' GLU . 44.0 p90 -95.91 6.07 49.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.4 tp -133.49 117.75 17.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.743 0.306 . . . . 10.0 110.938 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 -132.16 166.32 22.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 61.33 40.36 14.37 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.549 0.53 . . . . 10.0 111.57 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.0 tp -86.55 107.82 18.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.085 0.469 . . . . 10.0 110.81 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -146.4 157.52 43.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.42 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -79.6 162.07 25.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 13.4 t70 -66.0 150.54 48.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.095 0.474 . . . . 10.0 110.834 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.1 -27.23 68.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.584 -0.734 . . . . 10.0 111.991 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.97 -1.27 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.125 0.787 . . . . 10.0 113.125 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 20.2 t-20 -146.09 124.43 12.31 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.653 -0.419 . . . . 10.0 111.897 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.9 -16.27 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.063 0.458 . . . . 10.0 110.694 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.6 mt -86.76 1.71 51.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.168 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.0 t -123.24 109.92 24.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.635 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 47.0 m0 -98.82 147.66 24.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.024 0.44 . . . . 10.0 111.073 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -127.89 128.96 46.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.07 164.22 37.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 10.0 111.487 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.2 mt -109.16 117.78 35.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.723 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.542 ' HB2' HD23 ' A' ' 52' ' ' LEU . 33.3 tp -86.2 134.44 33.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.6 86.92 30.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.255 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.3 137.19 30.56 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.507 2.138 . . . . 10.0 110.253 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.28 -19.35 24.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.963 0.411 . . . . 10.0 111.693 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.5 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.2 tp-100 -71.62 134.82 83.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.366 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 16.7 Cg_exo -69.12 145.9 62.4 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.526 2.151 . . . . 10.0 110.904 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 65.0 Cg_endo -96.39 13.17 39.08 Favored 'Cis proline' 0 N--CA 1.459 -0.557 0 C-N-CA 123.623 -1.407 . . . . 10.0 111.915 -0.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -65.14 -13.91 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.885 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.449 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 0.3 OUTLIER -75.11 -3.93 35.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.781 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -79.07 -35.29 42.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.968 0.358 . . . . 10.0 111.968 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 150' ' ' ARG . 26.5 mmtt -134.87 -167.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.868 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.55 160.18 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.51 127.71 46.87 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.115 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -80.75 130.32 35.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.2 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.542 HD23 ' HB2' ' A' ' 38' ' ' LEU . 3.4 pp -120.13 154.82 34.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.736 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 121.51 35.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.428 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.812 HG23 HG12 ' A' ' 67' ' ' ILE . 44.9 mt -101.65 114.32 40.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.658 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.37 114.23 28.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.814 0.34 . . . . 10.0 110.923 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.52 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 84.7 m-85 -92.01 125.78 55.64 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.89 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 56' ' ' PHE . 7.5 Cg_exo -74.89 151.6 40.29 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.78 2.32 . . . . 10.0 111.1 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.24 -17.83 59.09 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.647 2.231 . . . . 10.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.1 6.59 45.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.455 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 39.6 t80 -54.91 139.82 61.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 110.306 -0.257 . . . . 10.0 110.306 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.52 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 65.8 Cg_endo -94.92 23.91 25.65 Favored 'Cis proline' 0 C--N 1.348 0.531 0 C-N-CA 124.076 -1.218 . . . . 10.0 113.666 0.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -76.28 -15.73 59.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.583 0.706 . . . . 10.0 109.705 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.82 132.09 24.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.083 -0.962 . . . . 10.0 108.985 178.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.83 139.38 74.14 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.972 2.448 . . . . 10.0 112.855 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.45 125.96 14.78 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.858 2.372 . . . . 10.0 111.171 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.3 mtm -83.87 91.73 7.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.837 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.812 HG12 HG23 ' A' ' 54' ' ' ILE . 29.4 mt -97.98 127.24 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.121 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 6.1 ptmm? -140.42 160.31 40.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -84.47 137.09 33.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.775 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -35.57 16.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.26 165.69 13.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.494 -0.775 . . . . 10.0 109.57 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -90.43 112.19 23.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.011 0.434 . . . . 10.0 111.691 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.0 tt -113.3 116.6 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.831 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -77.53 87.84 3.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.458 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -132.23 134.95 25.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.02 -0.537 . . . . 10.0 109.916 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.542 ' HG3' HD22 ' A' ' 128' ' ' LEU . 19.1 Cg_endo -58.42 -12.59 14.09 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.326 2.684 . . . . 10.0 114.127 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -114.34 19.96 15.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.865 0.364 . . . . 10.0 110.785 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -137.15 141.48 40.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.61 171.34 8.73 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.271 -0.172 . . . . 10.0 110.547 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.17 -29.43 67.44 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.727 0.64 . . . . 10.0 112.727 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -76.89 -42.18 40.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 10.0 109.866 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.82 22.6 1.58 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.508 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -80.36 151.02 29.65 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.711 0.291 . . . . 10.0 110.671 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.414 HD12 HD13 ' A' ' 107' ' ' LEU . 1.4 pt -141.53 129.39 21.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.866 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.526 ' HB2' HD11 ' A' ' 120' ' ' LEU . 33.4 m -84.0 74.69 10.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 99.99 110.826 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.572 ' HB2' HG12 ' A' ' 89' ' ' ILE . 38.5 mt -89.49 117.18 67.94 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.219 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.51 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 40.3 Cg_exo -58.59 -29.35 88.82 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 122.603 2.202 . . . . 10.0 112.05 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.628 HD13 ' HA ' ' A' ' 103' ' ' VAL . 18.3 tt -67.55 -26.57 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.572 HG12 ' HB2' ' A' ' 86' ' ' LEU . 46.3 pt -104.56 1.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 122.155 -0.341 . . . . 10.0 111.617 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.5 p -72.28 140.48 48.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -20.41 38.13 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -87.69 -7.9 56.8 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 87' ' ' PRO . 45.2 m-80 -138.81 12.09 2.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -81.38 128.34 33.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.256 0.55 . . . . 10.0 111.972 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.512 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 4.1 mppt? -124.95 123.17 25.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.307 -0.861 . . . . 10.0 108.814 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 39.9 Cg_exo -58.66 -17.52 35.84 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.227 2.618 . . . . 10.0 113.368 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -77.44 -13.91 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.357 . . . . 10.0 111.678 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.24 137.65 35.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.794 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -98.76 162.9 12.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.5 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.6 m -58.22 -34.07 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 10.0 112.138 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.816 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.64 -31.59 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 10.0 111.604 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -79.26 -30.61 43.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.064 0.459 . . . . 10.0 110.313 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.628 ' HA ' HD13 ' A' ' 88' ' ' ILE . 51.0 t -70.08 -46.66 71.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.396 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.13 -28.59 69.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.693 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.462 ' HA ' ' OH ' ' A' ' 20' ' ' TYR . 12.0 tt0 -68.41 -44.63 74.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.952 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.24 83.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.304 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 86' ' ' LEU . 42.9 tp -62.14 -44.43 96.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.731 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -56.97 -37.32 71.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.053 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.4 t -65.33 -45.04 94.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.506 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.31 -35.48 81.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.298 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.11 -47.2 62.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.199 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -72.68 -35.85 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.817 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 113' ' ' ARG . 14.7 mmm180 -119.68 98.75 49.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.759 0.314 . . . . 10.0 110.186 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.422 ' HB3' ' HG2' ' A' ' 76' ' ' PRO . 20.8 Cg_exo -66.73 118.89 5.9 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.677 2.252 . . . . 10.0 111.944 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -70.1 103.75 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.834 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 20.5 pt -81.15 -3.74 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 10.0 112.009 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -79.68 -59.43 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -121.72 85.22 44.14 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.716 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -90.54 173.81 3.06 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.844 2.362 . . . . 10.0 111.45 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.4 mp -98.7 -24.28 15.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.076 0.465 . . . . 10.0 110.142 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 15.7 mtp180 -132.95 106.82 7.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.151 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -62.43 -30.8 71.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.583 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 13.8 p-10 -68.92 -34.93 76.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.421 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.593 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.7 mp -81.21 -40.9 23.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.522 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.48 93.7 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 27.1 t70 -60.69 -56.1 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.186 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.621 HD11 HD23 ' A' ' 134' ' ' LEU . 44.2 tp -55.95 -40.27 72.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.61 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.542 HD22 ' HG3' ' A' ' 76' ' ' PRO . 35.5 tp -62.06 -34.89 77.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.651 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 -31.07 18.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.881 0.372 . . . . 10.0 111.423 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 22.0 mm-40 -72.37 -53.12 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.03 0.443 . . . . 10.0 110.526 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -144.05 92.97 6.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.145 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.79 -32.74 97.7 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 123.011 2.474 . . . . 10.0 112.187 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 137' ' ' LYS . 41.2 tp10 -68.35 -46.94 68.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.16 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.621 HD23 HD11 ' A' ' 127' ' ' LEU . 20.9 tp -61.08 -42.72 99.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.943 0.402 . . . . 10.0 110.207 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.593 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 81.7 t80 -66.87 -41.48 87.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.951 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 48.7 ttp85 -57.75 -38.65 75.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 133' ' ' GLU . 63.1 mttm -62.12 -50.42 71.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.857 0.36 . . . . 10.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.91 -41.38 95.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.818 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.81 -34.51 76.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -63.6 -49.89 71.57 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.197 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.67 -41.77 95.74 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.808 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -42.22 91.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.877 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.3 m -64.68 -37.45 87.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.182 0.515 . . . . 10.0 110.113 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 81.3 mt -93.2 25.68 3.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.459 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -136.68 -39.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.931 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -128.76 34.96 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.554 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -119.0 150.38 17.96 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.157 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 25.8 t -81.11 143.78 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -56.67 128.69 37.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.908 0.385 . . . . 10.0 111.516 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.514 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 20.3 ttt180 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.606 -0.725 . . . . 10.0 111.04 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.625 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.0 ptt? . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.799 0.333 . . . . 10.0 110.532 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -98.88 130.29 45.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.852 0.358 . . . . 10.0 111.904 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -121.88 166.93 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.641 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' B' ' 66' ' ' THR . 97.6 m-85 -119.34 122.76 42.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.631 -0.258 . . . . 10.0 110.986 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.662 ' HB ' HG13 ' B' ' 13' ' ' ILE . 38.3 t -109.48 117.76 55.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -109.9 126.96 54.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.185 0.517 . . . . 10.0 111.417 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.8 p -92.73 166.9 12.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.111 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.5 mt -76.08 5.67 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 10.0 111.364 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.84 8.4 34.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.779 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.27 20.01 79.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.256 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -105.01 118.21 35.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.97 126.01 51.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.302 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.662 HG13 ' HB ' ' B' ' 5' ' ' VAL . 13.6 pt -121.39 140.19 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.975 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.76 143.11 26.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.945 -0.571 . . . . 10.0 109.959 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.55 145.27 49.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.842 0.354 . . . . 10.0 111.275 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -104.47 98.49 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.119 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -128.51 169.34 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.36 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' B' ' 56' ' ' LEU . 15.1 mm-40 -116.97 157.17 47.16 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -58.44 -20.83 50.73 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.696 2.264 . . . . 10.0 113.007 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.87 10.68 38.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.883 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -82.09 151.3 27.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.711 0.291 . . . . 10.0 111.107 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.448 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -93.79 148.58 21.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.484 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 50.7 mm -59.73 -38.82 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.579 -0.282 . . . . 10.0 111.494 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 1.0 OUTLIER -60.58 -34.03 73.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.332 0.587 . . . . 10.0 110.321 179.207 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -75.26 -38.79 60.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.049 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 22' ' ' THR . 92.3 t -60.92 -43.02 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.775 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 91.2 mttt -58.53 -42.13 87.1 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.484 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.27 90.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.146 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.29 -31.04 71.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.746 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.5 mt -72.14 -44.23 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -64.23 -31.44 72.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.062 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.13 -37.17 76.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.663 -0.699 . . . . 10.0 111.909 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -104.74 -34.19 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.547 0.943 . . . . 10.0 113.547 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -91.55 -33.52 15.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.06 1.22 70.21 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.571 -0.823 . . . . 10.0 112.721 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -84.14 119.84 73.84 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 122.769 -0.254 . . . . 10.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 47.0 Cg_exo -58.01 135.92 71.74 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.108 2.538 . . . . 10.0 112.565 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 65.8 Cg_exo -54.95 -29.76 65.88 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.655 2.904 . . . . 10.0 113.495 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.7 -22.8 65.25 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.235 0.541 . . . . 10.0 110.855 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.415 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 17.1 mt-30 -102.29 7.85 40.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.244 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -100.66 109.33 21.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.806 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.745 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 24.9 ttt180 -106.09 90.98 3.53 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.564 ' HB3' HD12 ' B' ' 50' ' ' LEU . 29.2 mt -79.71 121.73 25.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.605 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.1 130.9 70.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.509 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.69 ' HB3' HD21 ' B' ' 50' ' ' LEU . 81.5 t80 -143.18 127.45 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 29.2 18.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.071 0.462 . . . . 10.0 111.372 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.21 -0.07 84.9 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.953 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -112.12 158.25 19.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.902 0.351 . . . . 10.0 110.72 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -90.72 134.76 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' B' ' 45' ' ' PHE . 69.1 mt -80.49 116.61 20.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.838 0.351 . . . . 10.0 111.55 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -77.44 129.63 35.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.264 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.473 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 5.1 m-20 -49.86 -45.27 50.26 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.442 0.904 . . . . 10.0 113.442 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.27 -9.77 81.27 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 121.016 -0.612 . . . . 10.0 113.765 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -86.88 162.9 17.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.034 0.445 . . . . 10.0 111.269 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 9.1 p -108.9 166.61 10.69 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.5 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -63.54 -27.3 69.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 10.0 111.169 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -14.7 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.531 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -73.04 -38.56 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.123 0.487 . . . . 10.0 110.556 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.441 ' HB2' HG13 ' B' ' 61' ' ' ILE . 77.2 m-85 -98.48 2.9 48.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.703 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.24 44.59 7.49 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.748 0.655 . . . . 10.0 110.807 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' B' ' 59' ' ' TYR . 52.8 mt -85.24 112.87 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.576 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -94.79 -172.96 2.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.859 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.625 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 20.3 pttp -76.67 161.79 28.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 72.85 -7.41 1.47 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.2 m -65.26 140.0 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.841 0.353 . . . . 10.0 111.176 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 3.2 m -103.88 120.08 40.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.415 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 33.0 mt -99.67 150.52 22.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.261 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.58 122.18 43.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.2 tp -106.93 112.49 25.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.051 0.453 . . . . 10.0 111.998 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.745 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 26.1 t -97.28 134.64 34.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.152 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 tp -88.22 115.1 25.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.816 0.341 . . . . 10.0 111.065 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.415 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 3.4 tmm_? . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.919 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.737 0.303 . . . . 10.0 111.27 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -34.97 71.57 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.9 ttm -55.51 -45.4 77.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.594 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -71.02 -38.54 72.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.587 -0.279 . . . . 10.0 111.019 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.9 -44.66 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.08 -39.6 84.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.08 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -64.79 -46.81 80.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.631 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.32 -37.98 89.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.437 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.6 tp -66.01 -42.35 89.83 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -48.18 82.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.801 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.39 -51.33 70.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.013 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.4 mt -68.12 -24.63 65.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.919 -0.582 . . . . 10.0 112.318 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -76.71 -28.87 56.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 10.0 110.158 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -82.67 -34.39 27.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.014 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -129.21 75.66 79.93 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.002 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.16 130.15 10.95 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.546 2.164 . . . . 10.0 112.278 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HG2' ' CB ' ' A' ' 21' ' ' LEU . 36.9 Cg_endo -68.07 147.52 73.62 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.294 1.996 . . . . 10.0 111.23 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.97 -22.75 70.31 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 123.006 2.471 . . . . 10.0 113.393 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -92.59 6.89 45.62 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' CB ' ' HG2' ' A' ' 18' ' ' PRO . 12.5 tp -134.43 122.27 22.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.817 0.342 . . . . 10.0 110.56 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -124.81 161.67 25.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.895 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 53.48 45.75 27.62 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.778 0.674 . . . . 10.0 111.932 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -79.95 100.1 7.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.495 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -136.78 172.06 13.57 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.973 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.13 173.02 10.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.532 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 15.9 t70 -71.8 158.26 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -60.59 -38.71 85.55 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.97 20.36 3.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 13.6 t-20 -142.11 130.04 21.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.934 0.397 . . . . 10.0 111.239 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.22 -14.68 9.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.251 0.548 . . . . 10.0 110.324 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.24 21.34 10.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.122 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 80.8 t -137.78 129.0 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.935 -0.394 . . . . 10.0 109.935 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.684 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 32.3 m0 -105.13 150.51 24.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.046 0.45 . . . . 10.0 111.438 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -124.11 124.62 42.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.957 -1.127 . . . . 10.0 107.957 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.33 152.52 29.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.6 mt -106.97 114.6 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.454 -0.794 . . . . 10.0 109.121 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 tp -82.37 131.15 35.23 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.051 -0.352 . . . . 10.0 110.051 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mp -115.06 90.36 23.14 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.1 157.54 57.36 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.484 2.123 . . . . 10.0 110.481 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -107.0 -24.84 11.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.11 0.481 . . . . 10.0 110.665 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.434 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 7.7 tp-100 -62.14 128.74 91.37 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.559 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 16.9 Cg_exo -70.54 141.59 42.45 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.053 2.502 . . . . 10.0 111.109 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 71.1 Cg_endo -99.18 17.69 26.14 Favored 'Cis proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.839 -1.317 . . . . 10.0 112.322 -0.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -60.94 -29.29 69.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 10.0 111.496 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -0.29 6.85 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.51 -13.46 54.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.752 0.31 . . . . 10.0 110.746 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 149' ' ' ASP . 20.5 mmtm -144.92 -168.39 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.764 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -132.18 151.77 51.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.667 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -124.73 120.27 31.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.79 0.328 . . . . 10.0 111.257 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -80.67 135.28 36.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.423 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -123.57 150.38 44.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.407 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 53' ' ' ARG . 24.1 ttt180 -119.41 115.36 23.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.085 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.684 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 53.5 mt -95.7 120.03 44.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.24 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -105.41 114.88 29.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.253 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -89.77 127.9 52.4 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 56.5 Cg_endo -71.24 150.67 59.61 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.375 2.05 . . . . 10.0 110.99 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.55 -16.43 53.78 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.572 2.181 . . . . 10.0 111.749 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -97.58 17.31 18.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.24 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 61' ' ' PRO . 15.0 t80 -63.34 141.67 97.82 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 60' ' ' TYR . 67.1 Cg_endo -98.01 24.3 21.69 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 124.261 -1.141 . . . . 10.0 113.061 0.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -77.08 -9.6 58.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 10.0 109.379 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.3 OUTLIER -128.8 141.46 41.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 114.761 -1.109 . . . . 10.0 109.024 179.285 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.553 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 55.5 Cg_endo -70.62 141.74 42.45 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.746 2.297 . . . . 10.0 113.086 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.51 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 74.3 Cg_endo -77.78 137.52 16.07 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.557 2.171 . . . . 10.0 111.185 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 71.7 mtm -93.58 117.72 30.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 10.0 110.874 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.647 HG12 HG23 ' A' ' 54' ' ' ILE . 45.4 mt -111.9 125.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.354 -0.384 . . . . 10.0 110.231 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 5.1 ptmm? -131.36 152.98 50.11 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -85.14 133.22 34.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.51 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.13 -13.41 28.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.709 0.766 . . . . 10.0 109.342 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 m -106.69 140.71 39.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.133 -0.94 . . . . 10.0 109.93 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -70.07 106.46 3.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.561 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.1 tt -111.79 128.67 68.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.064 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -86.99 77.99 9.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.971 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -123.53 134.23 25.11 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.219 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.633 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 27.2 Cg_endo -61.43 -15.83 43.47 Favored 'Trans proline' 0 N--CA 1.479 0.647 0 C-N-CA 123.307 2.671 . . . . 10.0 113.68 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -111.96 24.93 12.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.809 0.338 . . . . 10.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 84' ' ' ILE . 92.8 t -136.25 138.66 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -79.66 158.14 27.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.045 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.39 -31.65 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -80.78 -4.99 56.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.88 0.326 . . . . 10.0 111.88 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.86 13.57 49.58 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.527 -0.844 . . . . 10.0 111.965 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -83.47 142.41 30.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.684 HD12 HD13 ' A' ' 86' ' ' LEU . 17.3 pt -119.61 -178.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.895 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.791 ' HB2' HD11 ' A' ' 120' ' ' LEU . 1.3 m -137.51 92.81 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.692 -0.685 . . . . 99.99 109.383 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.684 HD13 HD12 ' A' ' 84' ' ' ILE . 4.3 mp -106.15 113.41 63.52 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.139 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.71 -28.54 76.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.901 2.401 . . . . 10.0 112.196 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.481 HG23 HG23 ' A' ' 89' ' ' ILE . 18.3 tt -66.04 -26.27 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.168 0.433 . . . . 10.0 112.168 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.481 HG23 HG23 ' A' ' 88' ' ' ILE . 38.5 pt -111.74 19.64 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 10.0 111.263 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.2 p -77.68 149.41 34.66 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -6.71 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.507 0.558 . . . . 10.0 112.507 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -111.32 -7.8 14.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.845 0.313 . . . . 10.0 111.845 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -136.04 20.76 3.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.447 0.536 . . . . 10.0 112.447 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -83.28 136.28 34.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.977 0.418 . . . . 10.0 111.61 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 95' ' ' LYS . 3.8 mppt? -123.4 123.28 26.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.53 -16.87 50.64 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.913 2.409 . . . . 10.0 113.125 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 p -84.32 -8.85 58.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -73.9 136.61 43.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.102 0.477 . . . . 10.0 111.592 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -99.22 151.73 20.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.637 -0.875 . . . . 10.0 108.637 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 m -58.05 -26.42 62.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.814 0.34 . . . . 10.0 111.763 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.06 -29.25 70.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.089 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -79.99 -36.63 35.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.99 0.424 . . . . 10.0 109.923 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 22.7 t -63.98 -45.29 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.167 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 54' ' ' ILE . 93.1 mt -61.92 -36.5 81.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.76 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.64 -49.06 70.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.257 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.84 -37.64 76.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.226 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 111' ' ' VAL . 60.8 tp -64.45 -49.37 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.746 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -56.76 -43.13 80.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.11 -44.09 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.751 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.38 -26.19 64.53 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 107' ' ' LEU . 74.7 t -75.64 -45.27 39.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.837 0.351 . . . . 10.0 110.169 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -75.12 -33.84 61.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.331 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 113' ' ' ARG . 14.2 mmm180 -116.7 98.06 51.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.09 119.18 6.19 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.742 2.295 . . . . 10.0 112.485 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.542 ' ND2' ' HB2' ' A' ' 118' ' ' GLU . 38.9 t30 -75.34 110.69 9.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.968 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.7 pt -83.07 -7.28 10.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 10.0 112.412 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -86.69 -38.4 17.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.204 0.526 . . . . 10.0 110.156 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.542 ' HB2' ' ND2' ' A' ' 115' ' ' ASN . 5.7 mp0 -119.3 81.45 22.05 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.527 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -93.41 129.35 0.71 Allowed 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.861 2.374 . . . . 10.0 112.451 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.791 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.8 mp -78.72 -24.89 44.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.507 0.67 . . . . 10.0 109.24 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.462 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 37.2 mtp180 -129.12 100.21 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.194 -0.912 . . . . 10.0 110.396 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -63.04 -26.39 68.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.913 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.462 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 16.8 p-10 -70.91 -33.47 70.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.321 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.482 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.1 mp -88.79 -44.98 10.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.921 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.37 90.18 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.987 0.422 . . . . 10.0 111.287 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.586 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 22.5 t70 -66.06 -42.79 89.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.389 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 19.1 tp -58.57 -44.32 89.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.271 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.89 -32.78 73.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.84 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.0 m -80.46 -31.67 37.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.903 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 80.4 mm-40 -70.02 -54.04 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.597 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 134' ' ' LEU . 44.6 t-20 -146.67 105.6 3.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.413 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -58.08 -43.08 51.1 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.976 2.451 . . . . 10.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -64.81 -43.6 92.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.672 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 131' ' ' ASN . 60.5 tp -59.15 -46.34 88.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.092 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.633 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 62.8 t80 -65.4 -41.34 93.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.016 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -59.3 -44.05 92.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.695 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -60.44 -49.46 77.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.716 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -65.55 -35.46 80.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.891 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.53 80.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.551 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.36 -32.68 72.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.549 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -61.26 2.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.897 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -63.15 -38.63 91.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.933 -0.576 . . . . 10.0 112.485 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.434 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 33.4 m -59.56 -48.17 82.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 30.1 mt -88.16 16.4 6.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.705 0.288 . . . . 10.0 111.36 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -122.04 -56.07 1.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.868 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -106.96 -2.22 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -85.93 153.81 27.29 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.431 -0.89 . . . . 10.0 112.371 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 18.5 t -80.39 149.93 5.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 107.848 -1.167 . . . . 10.0 107.848 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.513 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 5.0 t0 -62.55 159.83 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.092 -178.672 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -93.46 123.32 36.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.093 0.473 . . . . 10.0 111.971 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.466 HD11 HD23 ' B' ' 15' ' ' LEU . 28.8 pt -127.91 175.95 8.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -129.46 140.3 51.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.906 0.384 . . . . 10.0 111.422 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -119.69 116.02 49.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.109 -0.701 . . . . 10.0 109.109 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.425 ' HE3' ' HA2' ' B' ' 10' ' ' GLY . 68.4 tttt -102.63 128.3 49.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.487 -179.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.456 HG22 HD23 ' B' ' 69' ' ' LEU . 17.7 p -88.03 169.39 12.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.273 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.42 -31.18 70.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.929 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -26.67 61.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 10.0 111.445 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.425 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . 118.04 -10.31 13.62 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.905 -0.664 . . . . 10.0 111.598 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -65.35 106.73 1.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -97.47 111.62 23.8 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.236 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 pt -98.57 148.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.93 0.395 . . . . 10.0 111.315 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -88.31 139.6 30.33 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.391 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.6 HD21 HG13 ' B' ' 26' ' ' VAL . 28.6 tp -137.34 130.68 31.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.663 0.268 . . . . 10.0 110.602 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -113.09 98.14 6.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.163 0.506 . . . . 10.0 111.165 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -133.21 160.09 42.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.567 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -95.35 158.66 34.3 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 110.515 -0.179 . . . . 10.0 110.515 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -61.53 -17.45 54.02 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.888 2.392 . . . . 10.0 112.598 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.78 1.69 54.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.312 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -77.78 154.88 31.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.892 0.377 . . . . 10.0 111.463 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -96.64 144.72 26.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.911 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.52 -40.33 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.792 0.293 . . . . 10.0 111.792 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -36.16 81.75 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.975 0.417 . . . . 10.0 110.714 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -69.85 -36.37 75.48 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.6 HG13 HD21 ' B' ' 15' ' ' LEU . 45.9 t -62.39 -42.55 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.516 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.94 -39.34 85.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.806 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.8 -31.8 72.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.87 -36.67 62.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.622 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.45 -32.36 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -67.76 -22.44 65.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.813 -1.085 . . . . 10.0 109.811 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.72 -54.18 6.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.359 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' B' ' 33' ' ' LYS . 6.1 ptpt -73.54 -38.0 65.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.345 0.868 . . . . 10.0 113.345 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -96.32 -62.91 1.2 Allowed 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.919 -0.312 . . . . 10.0 111.359 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.93 -5.08 9.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.088 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.2 mt -70.45 124.2 90.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 C-N-CA 122.113 0.165 . . . . 10.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.0 Cg_exo -55.46 138.12 79.41 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 123.074 2.516 . . . . 10.0 111.949 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.8 Cg_exo -55.92 -31.67 82.55 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.592 2.861 . . . . 10.0 113.339 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.81 -23.77 64.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.14 0.495 . . . . 10.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -96.78 4.02 51.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.651 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.04 117.79 33.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.998 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.761 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 68.7 ttt180 -114.95 100.35 8.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.591 ' HB3' HD12 ' B' ' 50' ' ' LEU . 58.8 mt -85.96 116.52 24.24 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.284 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.48 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 12.7 mm -112.42 125.65 69.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.141 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.522 ' HB3' HD21 ' B' ' 50' ' ' LEU . 60.6 t80 -150.75 140.69 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.326 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 22.49 12.18 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.422 0.451 . . . . 10.0 111.671 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.65 86.79 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.879 -0.601 . . . . 10.0 112.207 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -125.97 168.11 14.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.857 0.36 . . . . 10.0 110.438 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -97.91 133.76 41.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.905 -0.588 . . . . 10.0 109.807 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' B' ' 43' ' ' LEU . 45.9 mt -80.85 115.76 20.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.141 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.62 ' HB3' ' HB2' ' B' ' 54' ' ' ARG . 5.1 tt0 -73.43 137.92 44.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.141 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.25 -33.34 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.821 -0.627 . . . . 10.0 112.112 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.33 12.22 69.86 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.796 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.62 ' HB2' ' HB3' ' B' ' 51' ' ' GLU . 0.0 OUTLIER -110.29 164.53 12.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 -179.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 45.3 p -113.73 167.9 10.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.964 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.31 -27.47 68.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 10.0 111.437 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -27.19 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.281 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -64.11 -42.43 96.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.085 0.469 . . . . 10.0 111.325 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -91.63 3.25 55.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.172 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.38 48.08 12.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.727 -0.669 . . . . 10.0 111.149 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.8 mt -81.37 127.69 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.591 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -104.25 -176.84 3.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.945 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.466 ' HD2' ' HG3' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -71.62 153.29 42.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.865 0.364 . . . . 10.0 111.69 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.466 ' HG3' ' HD2' ' B' ' 63' ' ' LYS . 41.1 mt-10 68.51 10.67 8.01 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.397 0.888 . . . . 10.0 113.397 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.7 m -74.24 138.71 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.005 -0.368 . . . . 10.0 110.005 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -101.07 112.01 24.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.979 0.419 . . . . 10.0 111.073 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 29.4 mt -88.0 144.47 26.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.041 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.48 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 27.5 m80 -93.62 118.47 31.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.456 HD23 HG22 ' B' ' 7' ' ' THR . 42.9 tp -102.61 102.63 12.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.082 0.468 . . . . 10.0 111.396 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.761 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 44.3 t -94.46 136.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.217 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -90.75 122.47 33.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.081 0.467 . . . . 10.0 111.384 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.243 179.702 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.532 0.206 . . . . 10.0 111.139 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -38.72 60.28 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.09 0.774 . . . . 10.0 113.09 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 56.9 ttm -54.62 -52.64 61.61 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 111.914 0.339 . . . . 10.0 111.914 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -71.06 -36.65 72.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.991 -0.284 . . . . 10.0 111.512 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.66 -47.07 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.47 -40.41 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 10.0 110.405 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -64.05 -43.98 93.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.33 -36.8 85.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.035 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.33 -48.94 77.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.762 -0.653 . . . . 10.0 109.252 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.69 -43.46 94.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.922 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.07 -50.23 74.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.723 -0.672 . . . . 10.0 111.086 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 101' ' ' CYS . 19.9 mt -71.61 -27.69 63.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.637 -0.711 . . . . 10.0 112.808 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -77.48 -38.47 49.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.701 0.286 . . . . 10.0 111.07 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -75.0 -34.64 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.072 0.463 . . . . 10.0 109.945 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -126.28 76.67 72.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.976 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.27 129.64 3.3 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.623 2.215 . . . . 10.0 112.791 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 38.6 Cg_endo -68.76 144.77 60.71 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.286 1.991 . . . . 10.0 110.478 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 59.6 Cg_exo -52.85 -32.36 56.18 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 123.151 2.568 . . . . 10.0 113.679 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -80.5 -2.17 44.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.39 0.885 . . . . 10.0 113.39 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD22 HD13 ' A' ' 104' ' ' LEU . 15.8 tp -122.47 123.55 41.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.805 0.336 . . . . 10.0 110.659 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -126.68 159.59 33.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.918 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.443 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 3.7 t30 51.69 64.94 1.65 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.37 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 65.6 tp -97.24 106.74 19.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 m -144.58 147.93 33.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.014 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.49 162.24 29.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.116 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.656 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 17.7 t70 -62.06 138.06 58.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.11 -12.99 61.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.41 -40.78 4.03 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.656 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 47.4 t-20 -124.44 121.66 35.51 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.825 0.345 . . . . 10.0 111.599 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -67.79 -17.01 21.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 120.954 0.407 . . . . 10.0 111.826 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.73 3.97 30.89 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.871 0.367 . . . . 10.0 111.648 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 44.4 t -121.81 135.02 63.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.641 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 46.0 m0 -116.83 148.13 41.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.985 0.421 . . . . 10.0 111.405 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -125.65 122.6 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.464 -0.939 . . . . 10.0 108.464 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 23' ' ' ASN . . . -149.3 160.86 43.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.068 0.461 . . . . 10.0 111.901 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 mt -110.29 122.63 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.979 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -95.13 132.92 39.52 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.67 96.34 36.6 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.015 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -68.09 157.32 62.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 10.0 110.879 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -109.33 -28.11 9.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.657 0.265 . . . . 10.0 111.674 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -65.49 133.0 95.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.598 -0.273 . . . . 10.0 110.752 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.25 143.29 48.06 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.314 2.01 . . . . 10.0 111.014 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -98.61 23.55 21.88 Favored 'Cis proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.992 -1.253 . . . . 10.0 112.192 -0.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -64.73 -20.81 66.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 10.0 111.28 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.499 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 1.6 p-80 -78.85 10.14 3.62 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.659 0.614 . . . . 10.0 112.659 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.32 -31.03 25.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.626 0.25 . . . . 10.0 110.84 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 49.1 mmtt -140.83 -164.34 1.72 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.549 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.14 156.49 42.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.407 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -122.85 138.79 54.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.534 -0.303 . . . . 10.0 110.542 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -94.35 134.22 37.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.741 0.305 . . . . 10.0 110.788 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 pp -119.66 154.15 34.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.027 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -121.66 115.82 23.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.641 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 42.3 mt -100.27 121.63 51.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -115.35 116.8 28.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.803 0.335 . . . . 10.0 110.773 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -92.98 135.46 25.89 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.669 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 96.7 Cg_endo -83.56 155.32 13.94 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.414 2.076 . . . . 10.0 110.744 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.61 -15.28 48.77 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.429 2.086 . . . . 10.0 112.03 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -92.32 13.87 18.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.405 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 16.8 t80 -65.77 142.84 98.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.573 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 69.1 Cg_endo -96.08 22.21 27.6 Favored 'Cis proline' 0 C--N 1.35 0.639 0 C-N-CA 124.119 -1.2 . . . . 10.0 113.323 0.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -75.87 -21.23 57.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -116.1 139.28 24.92 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.291 -0.868 . . . . 10.0 109.336 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.41 141.2 38.22 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.431 2.087 . . . . 10.0 112.345 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 63.0 Cg_endo -76.25 136.13 17.6 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.518 2.145 . . . . 10.0 111.153 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 50.1 ttm -84.74 117.37 23.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.637 HG12 HG23 ' A' ' 54' ' ' ILE . 53.1 mt -115.53 128.15 72.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 11.3 ptmm? -144.68 169.63 17.63 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -92.68 138.83 31.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.676 0.274 . . . . 10.0 110.531 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.99 -22.09 23.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.481 0.657 . . . . 10.0 109.684 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.33 169.2 8.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.124 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -86.15 126.83 34.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.782 0.325 . . . . 10.0 111.182 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.42 HG12 ' HB2' ' A' ' 75' ' ' HIS . 6.8 tt -127.53 119.13 51.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.58 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -73.4 82.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.226 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.529 ' HB3' HG23 ' A' ' 78' ' ' VAL . 5.7 t-80 -132.46 136.2 27.56 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.757 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.694 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 36.7 Cg_endo -65.82 -0.87 4.29 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.954 2.436 . . . . 10.0 113.703 -179.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -119.23 15.31 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.044 0.45 . . . . 10.0 110.401 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 84' ' ' ILE . 21.7 t -133.65 148.54 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.412 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -98.46 171.12 8.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.979 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.62 -6.31 14.87 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.521 0.934 . . . . 10.0 113.521 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.455 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 47.6 m-80 -102.43 -7.36 22.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.25 0.547 . . . . 10.0 110.148 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.85 18.39 44.25 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.648 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.408 ' HB2' ' OD1' ' A' ' 79' ' ' ASP . 4.9 mm100 -86.33 142.48 28.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.915 0.388 . . . . 10.0 110.887 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.539 HG22 HG22 ' A' ' 78' ' ' VAL . 24.3 pt -133.92 176.35 9.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.822 -0.627 . . . . 10.0 109.376 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 86.4 m -142.47 91.13 2.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.085 0.469 . . . . 99.99 109.961 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.577 ' HB2' HG12 ' A' ' 89' ' ' ILE . 81.8 mt -90.48 116.0 65.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.344 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.05 -26.34 68.21 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.781 2.321 . . . . 10.0 112.292 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 103' ' ' VAL . 20.9 tt -66.88 -26.65 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-N 115.995 -0.548 . . . . 10.0 112.246 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.577 HG12 ' HB2' ' A' ' 86' ' ' LEU . 23.0 pt -115.34 16.03 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.4 p -67.19 149.97 49.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 0.53 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -121.2 2.01 10.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.881 -0.145 . . . . 10.0 111.327 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -137.94 3.01 2.42 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -65.47 139.36 58.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.434 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 70.5 mttt -131.36 127.06 21.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.59 -21.7 69.8 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.726 2.284 . . . . 10.0 113.007 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.76 -9.25 59.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 10.0 111.881 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -83.46 130.51 35.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.684 0.278 . . . . 10.0 110.514 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -98.28 163.37 12.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.333 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.4 m -59.72 -34.85 73.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.746 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.661 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -60.15 -37.45 80.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.874 0.369 . . . . 10.0 111.317 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -70.66 -36.99 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.337 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.433 ' HA ' HD13 ' A' ' 88' ' ' ILE . 40.7 t -67.94 -41.57 84.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.547 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.481 HD13 HD22 ' A' ' 21' ' ' LEU . 88.8 mt -61.17 -37.95 84.75 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.914 179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 25.1 tt0 -66.09 -43.83 86.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.3 98.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.109 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 111' ' ' VAL . 55.4 tp -61.5 -47.42 85.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.486 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.21 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.817 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 105' ' ' GLU . 71.8 t -67.34 -47.77 80.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.381 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.8 mt -64.94 -27.25 68.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.368 . . . . 10.0 111.859 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 107' ' ' LEU . 53.6 t -73.86 -47.3 43.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.144 -0.317 . . . . 10.0 110.144 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -72.44 -33.87 67.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -119.78 90.51 43.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.178 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.19 122.86 10.97 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.036 2.491 . . . . 10.0 112.47 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -73.28 106.35 5.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.309 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.513 ' H ' HG13 ' A' ' 116' ' ' ILE . 1.7 pp -82.94 -13.75 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.034 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.459 ' HB2' ' OE1' ' A' ' 118' ' ' GLU . 15.0 mtp-105 -68.49 -60.63 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.459 ' OE1' ' HB2' ' A' ' 117' ' ' ARG . 2.1 mp0 -124.8 82.06 60.82 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.94 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -93.17 168.21 2.36 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.985 2.457 . . . . 10.0 111.88 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.23 -21.43 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.297 0.57 . . . . 10.0 109.615 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.522 ' HD3' HD22 ' A' ' 124' ' ' LEU . 19.9 mtp180 -128.07 96.63 4.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.563 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -62.2 -28.56 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 23.4 p-10 -66.93 -47.03 72.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.98 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.522 HD22 ' HD3' ' A' ' 121' ' ' ARG . 5.5 mp -73.46 -36.13 65.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.98 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.6 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.03 -40.23 95.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 10.0 110.546 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.525 HD11 HD23 ' A' ' 134' ' ' LEU . 48.6 tp -60.7 -41.12 94.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.501 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.04 -27.11 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.839 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 m -84.19 -32.09 24.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.089 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -75.32 -54.34 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.372 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -149.42 99.53 3.39 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.863 0.363 . . . . 10.0 110.926 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.9 -35.2 98.35 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.163 2.575 . . . . 10.0 112.719 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.571 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 28.2 tp10 -63.47 -47.59 81.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.537 0.208 . . . . 10.0 111.064 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.525 HD23 HD11 ' A' ' 127' ' ' LEU . 31.9 tp -59.4 -42.82 92.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.027 0.442 . . . . 10.0 110.291 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.694 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 69.4 t80 -66.04 -40.81 91.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.579 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -61.31 -39.41 90.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.552 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.571 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 66.4 mttm -62.0 -47.5 84.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.969 0.414 . . . . 10.0 110.331 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -63.42 -45.5 90.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.556 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.63 78.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.39 -49.83 75.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.72 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.98 -45.61 84.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.854 -0.338 . . . . 10.0 110.704 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -57.33 -45.01 84.71 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.247 0.342 . . . . 10.0 111.765 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.418 HG22 ' HB2' ' A' ' 48' ' ' LYS . 23.2 m -63.74 -35.94 82.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.123 0.487 . . . . 10.0 110.824 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.42 19.44 9.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.077 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -130.56 -41.94 1.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.312 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -117.53 12.37 14.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.749 0.309 . . . . 10.0 111.288 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -101.22 152.76 18.95 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.586 -0.816 . . . . 10.0 112.352 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.84 161.5 2.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.715 -0.846 . . . . 10.0 108.715 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.458 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 19.2 t0 -59.28 147.55 35.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 10.0 111.491 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.499 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 23.1 ttt180 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.885 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.751 0.31 . . . . 10.0 110.524 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' B' ' 2' ' ' GLN . 6.1 tt0 -97.35 126.36 42.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.907 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.4 pt -123.14 160.59 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.084 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -122.19 118.54 28.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.936 0.398 . . . . 10.0 110.934 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.3 t -103.99 117.11 48.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -102.51 127.88 49.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.075 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.506 HG22 HD23 ' B' ' 69' ' ' LEU . 32.5 p -89.4 166.31 13.8 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.723 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.423 HD11 HG13 ' B' ' 70' ' ' VAL . 86.4 mt -63.04 -23.74 67.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 10.0 110.668 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -6.96 52.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.296 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.74 -31.16 8.47 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.285 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -56.79 117.57 4.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.965 0.412 . . . . 10.0 111.484 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -103.27 122.88 45.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.6 pt -103.26 152.56 5.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.067 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -102.09 130.3 48.64 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.558 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 tp -133.01 145.95 51.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.855 0.36 . . . . 10.0 110.82 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -109.88 106.18 15.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.068 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.828 HG12 ' HE3' ' B' ' 29' ' ' LYS . 18.7 m -128.81 167.42 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.188 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.484 ' O ' HD12 ' B' ' 56' ' ' LEU . 19.4 mm-40 -116.89 158.39 44.01 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.21 -16.19 38.93 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.433 2.089 . . . . 10.0 111.595 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -88.79 -3.83 58.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.6 OUTLIER -77.05 130.14 37.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.831 0.348 . . . . 10.0 111.4 -179.489 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.24 151.37 26.86 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.2 mm -55.41 -41.63 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.777 0.322 . . . . 10.0 111.397 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.75 -32.94 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.174 0.511 . . . . 10.0 110.413 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -74.46 -36.82 63.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.96 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.37 -41.49 92.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.876 -0.602 . . . . 10.0 109.654 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -58.5 -41.34 85.13 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.887 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.35 97.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.729 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.828 ' HE3' HG12 ' B' ' 17' ' ' VAL . 15.4 mtmm -65.28 -33.77 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.229 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.18 -40.27 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -70.9 -29.19 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.197 0.522 . . . . 10.0 109.829 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.12 -42.72 99.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.328 -0.851 . . . . 10.0 111.733 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.609 ' HD3' ' HG2' ' B' ' 34' ' ' GLU . 0.0 OUTLIER -95.95 -52.3 4.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.1 0.778 . . . . 10.0 113.1 -179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.609 ' HG2' ' HD3' ' B' ' 33' ' ' LYS . 18.3 mm-40 -75.49 -59.32 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 10.0 111.569 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.29 -6.56 10.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.645 -0.788 . . . . 10.0 112.503 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -68.84 121.81 82.74 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.571 -0.159 . . . . 10.0 110.571 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 36.8 Cg_exo -62.56 138.09 68.18 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.917 2.411 . . . . 10.0 111.876 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.6 Cg_exo -55.84 -25.96 55.0 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.378 2.719 . . . . 10.0 113.163 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -68.3 -18.43 64.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.18 0.514 . . . . 10.0 110.64 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -112.13 8.71 20.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.785 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -97.72 105.48 17.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.308 -0.406 . . . . 10.0 112.073 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.531 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 48.0 ttt180 -110.46 93.77 4.66 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 177.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.479 ' HB3' HD12 ' B' ' 50' ' ' LEU . 54.1 mt -84.3 124.65 31.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.84 -0.618 . . . . 10.0 112.349 -178.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 34.3 mm -116.68 130.98 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.552 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -136.89 117.28 13.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.492 -0.322 . . . . 10.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.0 26.61 16.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.976 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.86 82.32 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.663 -0.78 . . . . 10.0 112.869 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -104.44 145.99 29.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.723 0.261 . . . . 10.0 110.724 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -88.67 127.83 35.59 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' B' ' 43' ' ' LEU . 48.4 mt -75.26 110.06 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.78 0.324 . . . . 10.0 110.998 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.9 131.72 40.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.261 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -48.94 -40.81 31.65 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.499 0.926 . . . . 10.0 113.499 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.1 9.27 67.01 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 114.932 0.733 . . . . 10.0 114.932 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.415 ' O ' HG12 ' B' ' 23' ' ' ILE . 4.0 mmp_? -103.85 163.36 12.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.582 0.691 . . . . 10.0 111.237 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.39 166.51 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.484 HD12 ' O ' ' B' ' 18' ' ' GLU . 91.2 mt -66.04 -28.71 69.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.989 0.423 . . . . 10.0 110.844 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -29.05 67.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.688 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.21 -43.04 92.29 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.129 0.49 . . . . 10.0 111.272 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.75 7.91 39.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.418 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 58.04 44.82 18.85 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.536 0.684 . . . . 10.0 111.136 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -82.01 128.35 38.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.49 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.42 -165.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.329 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 151.21 35.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.011 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 68.49 19.08 8.86 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.777 -0.647 . . . . 10.0 112.317 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -78.56 130.97 36.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.43 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -93.72 114.69 27.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.089 0.471 . . . . 10.0 110.832 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 72.0 mt -98.33 143.47 28.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -103.01 116.49 32.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.68 0.276 . . . . 10.0 110.257 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.506 HD23 HG22 ' B' ' 7' ' ' THR . 52.8 tp -97.24 106.41 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.159 0.504 . . . . 10.0 111.376 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.531 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 45.1 t -93.32 118.07 38.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.718 -0.673 . . . . 10.0 109.279 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.31 113.68 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.298 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.337 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.703 0.287 . . . . 10.0 111.532 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -35.76 65.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.182 0.808 . . . . 10.0 113.182 -178.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mmm -56.48 -31.84 64.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.87 0.366 . . . . 10.0 111.977 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.513 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 12.2 ttt180 -91.56 -36.21 13.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.842 0.353 . . . . 10.0 110.173 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.6 t -57.98 -48.27 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.236 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.66 -38.54 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.948 0.404 . . . . 10.0 110.175 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -65.2 -51.04 63.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.876 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -62.66 -37.53 86.73 Favored 'General case' 0 N--CA 1.46 0.059 0 CA-C-O 120.487 0.185 . . . . 10.0 111.032 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.43 -55.7 25.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.167 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.547 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 14.6 tt0 -59.21 -36.82 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.301 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 1.1 t70 -64.54 -49.05 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.869 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.48 -24.76 64.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.71 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -73.97 -22.88 59.46 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.066 0.46 . . . . 10.0 110.39 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.547 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 78.1 mttt -78.25 -40.94 35.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.736 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.46 80.28 70.63 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.669 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.16 142.57 15.33 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.476 2.117 . . . . 10.0 112.4 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.831 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 37.1 Cg_endo -68.94 145.78 63.09 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.283 1.989 . . . . 10.0 111.182 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 27.8 Cg_exo -62.49 -0.97 2.17 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 123.262 2.641 . . . . 10.0 114.056 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -121.13 8.28 10.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.779 0.288 . . . . 10.0 111.779 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.831 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 17.6 tp -145.8 111.88 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.796 0.331 . . . . 10.0 110.561 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -128.51 173.25 10.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.316 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 m120 65.15 27.49 12.34 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.616 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.3 tp -67.94 105.28 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.19 0.519 . . . . 10.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.39 161.4 36.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.806 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.41 173.39 9.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.669 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 5.0 t70 -71.86 171.9 10.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -87.68 -24.1 23.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.948 0.404 . . . . 10.0 111.326 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.03 4.59 10.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -153.04 138.19 17.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.821 0.343 . . . . 10.0 111.132 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.47 -11.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.144 0.497 . . . . 10.0 110.5 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.01 5.18 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.452 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.669 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 45.6 t -120.17 115.81 48.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.765 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 44.6 m0 -97.95 141.8 30.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.398 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -125.76 121.59 33.79 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.411 -0.959 . . . . 10.0 108.411 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.54 165.79 32.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.936 0.398 . . . . 10.0 111.599 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.8 mt -111.83 120.25 41.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.11 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.7 tp -91.74 135.59 33.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 mp -122.26 93.93 48.22 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.24 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.39 150.91 59.15 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.615 2.21 . . . . 10.0 110.84 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.05 -29.4 13.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.834 0.35 . . . . 10.0 110.969 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.494 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 2.1 tp-100 -60.55 131.9 90.88 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.158 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 13.9 Cg_exo -70.32 144.75 51.93 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.824 2.349 . . . . 10.0 111.007 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -99.02 23.53 21.27 Favored 'Cis proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.926 -1.281 . . . . 10.0 111.908 -0.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -68.87 -13.0 62.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.037 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.537 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 1.4 p-80 -82.16 9.86 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.94 -33.65 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.855 0.359 . . . . 10.0 111.025 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 56.4 mmtt -135.53 -173.26 3.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.513 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.39 156.32 32.91 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.957 -0.386 . . . . 10.0 109.957 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -121.72 128.19 51.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.719 0.295 . . . . 10.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -85.23 130.53 34.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 pp -118.11 154.96 31.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.79 116.79 25.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.244 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.765 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 50.8 mt -102.14 114.27 41.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.67 115.51 30.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.089 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -92.23 124.93 58.25 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.713 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.74 153.42 33.72 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.312 2.008 . . . . 10.0 110.901 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.57 -15.46 50.1 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.526 2.151 . . . . 10.0 111.909 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.636 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.3 mp0 -94.52 18.38 11.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.11 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.482 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 27.2 t80 -68.68 143.8 95.42 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.482 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 60.2 Cg_endo -95.85 17.02 36.44 Favored 'Cis proline' 0 C--N 1.349 0.596 0 C-N-CA 124.097 -1.21 . . . . 10.0 113.101 0.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -68.57 -29.66 68.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.715 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -107.4 133.79 20.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.01 -0.995 . . . . 10.0 109.125 178.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.715 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 36.7 Cg_endo -66.33 145.82 78.86 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.756 2.304 . . . . 10.0 112.719 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.43 139.14 22.87 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.712 2.275 . . . . 10.0 111.882 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 49.8 mtm -89.94 106.97 18.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.288 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.652 HG12 HG23 ' A' ' 54' ' ' ILE . 47.4 mt -111.55 131.95 61.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.309 . . . . 10.0 110.67 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 9.7 ptmm? -144.17 162.18 36.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -96.42 134.74 39.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.677 0.275 . . . . 10.0 110.611 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 m -86.51 -35.21 19.71 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 m -82.75 139.26 33.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.07 -0.968 . . . . 10.0 110.754 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -70.52 106.95 3.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.456 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 75' ' ' HIS . 7.2 tt -110.15 121.51 63.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.056 0.455 . . . . 10.0 111.239 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -77.64 78.0 4.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.21 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.475 ' HB2' HG12 ' A' ' 73' ' ' ILE . 9.4 t-80 -127.14 134.35 26.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.795 -179.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.608 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 21.5 Cg_endo -60.23 -16.24 39.36 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 123.212 2.608 . . . . 10.0 114.057 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -107.0 18.7 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.767 0.318 . . . . 10.0 111.213 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' A' ' 75' ' ' HIS . 24.9 t -135.71 142.93 37.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -89.5 168.55 12.09 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -60.13 -24.16 64.46 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.466 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 58.2 t30 -84.92 -24.17 28.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.2 0.524 . . . . 10.0 110.885 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.69 17.02 9.45 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.574 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -81.3 142.04 33.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.428 HG22 HG22 ' A' ' 78' ' ' VAL . 7.3 pt -132.03 144.57 36.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.146 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.433 ' HB2' HD11 ' A' ' 120' ' ' LEU . 50.7 m -107.61 95.64 5.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 99.99 110.18 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.721 ' HG ' HG22 ' A' ' 88' ' ' ILE . 16.4 tp -100.47 112.19 63.99 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.138 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.77 -33.23 79.95 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.435 2.757 . . . . 10.0 114.055 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.721 HG22 ' HG ' ' A' ' 86' ' ' LEU . 12.5 tt -66.26 -20.42 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.271 0.471 . . . . 10.0 112.271 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.541 HG12 ' HB3' ' A' ' 86' ' ' LEU . 29.2 pt -120.98 25.61 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.283 0.563 . . . . 10.0 110.648 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 84.2 p -77.3 155.49 32.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.516 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -72.09 -1.43 14.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.963 0.411 . . . . 10.0 112.053 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -117.7 -4.63 11.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.82 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -149.13 53.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.096 0.474 . . . . 10.0 110.886 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -119.27 137.15 53.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.917 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -124.82 128.9 24.77 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.903 179.181 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 25.6 Cg_exo -64.39 -10.41 23.85 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.054 2.503 . . . . 10.0 113.167 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -87.48 1.44 53.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.126 0.488 . . . . 10.0 111.28 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.6 m -85.57 135.47 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.117 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 7.5 mtpm? -90.6 156.25 18.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.343 -0.389 . . . . 10.0 109.972 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.5 m -61.16 -30.26 70.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.999 0.428 . . . . 10.0 111.32 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -35.84 80.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.658 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -68.05 -37.88 81.84 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.313 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.12 -45.07 99.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.91 -0.587 . . . . 10.0 109.918 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.48 -37.69 87.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.51 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 109' ' ' VAL . 27.6 tt0 -63.07 -51.57 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.161 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.83 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.059 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 111' ' ' VAL . 64.2 tp -62.27 -47.33 84.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.479 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -56.85 -35.02 68.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.999 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 105' ' ' GLU . 98.0 t -63.46 -49.07 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.374 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 110' ' ' LEU . 18.1 mt -69.05 -25.11 64.3 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 107' ' ' LEU . 78.0 t -71.99 -47.28 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.913 0.387 . . . . 10.0 110.358 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -79.48 -26.87 41.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.14 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -115.48 93.72 37.47 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.12 113.26 2.77 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.576 2.184 . . . . 10.0 111.985 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -75.21 102.52 5.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.42 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 pt -81.84 -7.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.865 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.455 ' HB2' ' OE1' ' A' ' 118' ' ' GLU . 5.2 mtp-105 -80.14 -53.28 6.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.455 ' OE1' ' HB2' ' A' ' 117' ' ' ARG . 1.7 mp0 -123.3 79.4 53.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.858 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -98.89 -177.17 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.108 2.539 . . . . 10.0 112.052 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.4 mp -103.33 -35.17 8.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.221 0.534 . . . . 10.0 109.584 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.409 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 16.8 mtp85 -119.34 104.23 10.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.895 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -61.76 -36.83 82.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.482 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.409 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 34.0 p-10 -60.22 -45.06 94.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.389 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.8 mp -71.01 -41.81 70.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.856 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.71 -49.59 74.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.469 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.16 -37.65 86.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.928 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.629 HD11 HD23 ' A' ' 134' ' ' LEU . 36.1 tp -59.63 -41.18 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.431 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.99 -30.41 70.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.902 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.79 -42.29 28.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.15 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -67.65 -60.21 2.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.721 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -139.56 99.43 7.77 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 120.777 0.322 . . . . 10.0 111.01 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.22 -29.62 90.87 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.029 2.486 . . . . 10.0 112.646 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -69.8 -48.73 58.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.833 -0.167 . . . . 10.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.629 HD23 HD11 ' A' ' 127' ' ' LEU . 31.2 tp -57.85 -44.08 86.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.905 0.383 . . . . 10.0 110.59 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.608 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 83.8 t80 -64.99 -44.92 87.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.073 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -59.69 -42.65 93.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -63.2 -43.73 97.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -66.26 -47.13 74.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.071 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.47 91.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -57.18 -51.76 68.04 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.541 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -59.46 -43.5 93.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.181 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -63.79 -40.82 97.58 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.091 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 48' ' ' LYS . 28.2 m -62.88 -40.95 99.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.931 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.6 mt -87.89 17.4 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.179 0.514 . . . . 10.0 110.816 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -116.26 -59.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.851 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.49 -15.19 14.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.845 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -63.45 145.63 50.02 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.185 -0.531 . . . . 10.0 113.705 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 17.0 t -77.69 149.1 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.208 -1.034 . . . . 10.0 108.208 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.462 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 15.3 t0 -57.8 144.64 37.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.63 0.252 . . . . 10.0 111.379 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.537 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 11.2 tpt180 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.147 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.608 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.0 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.829 0.347 . . . . 10.0 110.771 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.11 126.57 47.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.663 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.452 HG13 ' HB3' ' B' ' 15' ' ' LEU . 27.3 pt -127.06 169.64 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.435 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -122.25 137.3 54.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.863 0.363 . . . . 10.0 111.256 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -116.78 119.86 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -108.83 135.45 50.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.843 0.354 . . . . 10.0 111.209 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -100.63 -177.73 3.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.062 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.76 -13.47 60.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 10.0 112.164 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.1 p -93.77 -7.61 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.897 0.38 . . . . 10.0 110.702 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.91 -11.62 62.42 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.431 -0.668 . . . . 10.0 111.431 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -63.74 111.73 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -109.6 120.21 41.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.408 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 18.6 pt -110.58 159.07 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.944 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 142.76 26.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.452 ' HB3' HG13 ' B' ' 3' ' ' ILE . 13.9 tp -130.95 133.56 45.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.053 0.454 . . . . 10.0 111.956 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.84 103.91 15.91 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.411 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' B' ' 1' ' ' MET . 9.5 m -138.14 172.73 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.914 0.388 . . . . 10.0 111.049 -178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' B' ' 56' ' ' LEU . 71.4 mm-40 -125.49 159.29 61.13 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -58.21 -27.46 80.58 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.144 1.896 . . . . 10.0 111.525 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.84 4.29 37.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.902 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -81.31 138.68 35.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.842 0.353 . . . . 10.0 111.059 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.62 150.62 22.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.127 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.726 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 51.4 mm -57.96 -33.61 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.669 0.271 . . . . 10.0 111.475 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.76 -36.04 81.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.937 0.398 . . . . 10.0 110.586 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -77.82 -32.01 51.98 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.39 -46.59 96.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.123 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -62.22 -38.34 88.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.281 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.44 95.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.558 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.89 -37.41 84.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.838 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.69 -39.61 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.35 -28.06 69.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.68 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.56 -47.7 53.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.097 -0.501 . . . . 10.0 112.082 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -83.34 -49.76 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.755 1.02 . . . . 10.0 113.755 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.04 -45.51 18.21 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.49 27.18 9.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.376 -0.916 . . . . 10.0 111.803 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -101.84 123.36 44.13 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -54.31 133.24 54.99 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.897 2.398 . . . . 10.0 112.232 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.09 -27.83 75.97 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.252 2.634 . . . . 10.0 112.959 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.38 -30.85 71.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.365 0.603 . . . . 10.0 110.777 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.456 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 43.6 mt-30 -95.38 6.26 49.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.174 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -96.15 99.39 11.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 10.0 112.0 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.64 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 53.5 ttt180 -98.24 87.7 3.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.652 ' HB3' HD12 ' B' ' 50' ' ' LEU . 37.3 mt -74.91 119.98 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.8 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.439 ' CD1' ' HG2' ' B' ' 49' ' ' GLN . 29.5 mm -118.73 131.53 71.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.102 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.637 ' HB3' HD21 ' B' ' 50' ' ' LEU . 85.4 t80 -138.6 127.49 23.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.987 -0.375 . . . . 10.0 109.987 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.4 27.51 15.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.538 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.44 7.03 88.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.056 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -116.61 150.27 38.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.718 -0.284 . . . . 10.0 110.502 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.439 ' HG2' ' CD1' ' B' ' 44' ' ' ILE . 22.5 mt-30 -84.01 141.98 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' B' ' 43' ' ' LEU . 45.8 mt -96.02 113.25 24.84 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.737 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.619 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 12.2 tt0 -78.93 132.33 36.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.308 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.726 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 14.8 m-20 -52.54 -33.37 45.16 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.704 0.631 . . . . 10.0 112.704 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.432 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -75.14 -18.79 80.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.945 -0.645 . . . . 10.0 113.154 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.619 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 5.1 mmp_? -85.84 162.52 18.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.254 0.55 . . . . 10.0 111.139 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 5.8 p -107.27 167.55 9.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.373 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.7 mt -63.32 -34.1 76.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.719 0.295 . . . . 10.0 110.954 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.7 p -67.89 -27.01 66.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.146 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' B' ' 55' ' ' THR . 31.0 m-20 -61.32 -40.83 95.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.651 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.405 ' HB2' HG13 ' B' ' 61' ' ' ILE . 95.0 m-85 -94.48 0.76 55.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.494 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 65.88 40.83 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.393 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.405 HG13 ' HB2' ' B' ' 59' ' ' TYR . 46.7 mt -87.36 119.3 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.722 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -108.86 -169.43 1.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.666 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.608 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 15.6 pttp -70.82 161.9 30.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.78 0.324 . . . . 10.0 111.378 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.45 18.3 11.27 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.904 0.705 . . . . 10.0 112.904 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -92.78 150.22 20.78 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.9 m -112.2 117.06 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.896 0.379 . . . . 10.0 111.493 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 55.5 mt -95.73 147.38 23.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -103.44 123.02 46.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.655 0.264 . . . . 10.0 110.479 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 34.9 tp -102.47 102.91 13.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.207 0.527 . . . . 10.0 111.561 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.64 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 64.6 t -90.74 127.2 43.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.84 125.67 31.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.164 0.507 . . . . 10.0 111.889 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 11.3 ttp180 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.813 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.396 0.141 . . . . 10.0 111.372 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.45 -37.7 62.86 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.092 0.775 . . . . 10.0 113.092 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -55.05 -51.63 65.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.81 0.338 . . . . 10.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -68.13 -37.88 81.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.694 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.8 t -57.47 -46.64 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.94 -39.49 85.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 121.053 0.454 . . . . 10.0 110.269 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -64.02 -42.6 97.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.319 179.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.427 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 38.1 mt-10 -70.38 -34.22 72.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.0 0.428 . . . . 10.0 110.652 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.74 -52.98 61.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.583 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.75 -9.33 58.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.157 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 1.1 t70 -80.2 -55.29 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.44 HD21 ' HB3' ' A' ' 101' ' ' CYS . 84.6 mt -75.77 -17.63 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.443 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -70.56 -22.1 62.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 10.0 111.062 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -89.23 -38.63 14.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.696 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 69.3 mmtt -131.07 80.27 69.39 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.673 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -86.32 141.64 6.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.371 2.047 . . . . 10.0 111.805 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 33.2 Cg_endo -66.48 151.0 83.98 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.351 2.034 . . . . 10.0 111.201 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 48.0 Cg_exo -57.99 -24.19 64.11 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.911 2.408 . . . . 10.0 113.299 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -93.21 11.93 26.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.521 0.563 . . . . 10.0 112.521 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 tp -137.63 116.98 12.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.679 0.276 . . . . 10.0 110.257 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 22' ' ' ARG . 9.7 mmt180 -122.98 152.54 40.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.101 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.48 41.13 23.17 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.612 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.8 tp -74.76 94.82 2.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.849 0.357 . . . . 10.0 110.16 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -134.88 161.51 35.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.529 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.69 177.38 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.12 -0.326 . . . . 10.0 110.12 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.555 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 29.1 t70 -76.4 167.34 22.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.78 0.324 . . . . 10.0 110.959 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.85 -32.46 72.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.534 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.18 -38.5 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.508 0.559 . . . . 10.0 112.508 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.555 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 10.7 t-20 -93.68 123.32 36.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 10.0 111.263 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.58 -15.58 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 10.0 110.932 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.0 mt -90.35 5.87 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.293 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 54' ' ' ILE . 90.8 t -120.82 120.95 63.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.609 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 46.9 m0 -106.94 146.71 30.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.101 0.477 . . . . 10.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -124.21 125.8 45.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.903 -1.147 . . . . 10.0 107.903 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.4 153.25 35.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.834 -0.346 . . . . 10.0 111.479 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.2 mt -101.46 114.57 28.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.416 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.5 tp -84.67 133.75 34.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 mp -115.57 85.73 14.2 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.124 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.56 137.22 41.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.302 2.001 . . . . 10.0 110.296 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.729 ' HA ' ' HD2' ' A' ' 46' ' ' HIS . 4.8 t70 -88.12 -33.46 18.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.739 0.304 . . . . 10.0 111.396 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -60.88 126.87 86.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.979 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.36 152.57 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.416 2.077 . . . . 10.0 111.236 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -92.88 17.26 42.09 Favored 'Cis proline' 0 N--CA 1.461 -0.437 0 C-N-CA 123.74 -1.358 . . . . 10.0 112.33 0.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -73.12 -0.49 14.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.102 0.477 . . . . 10.0 110.988 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.729 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 29.4 t-80 -84.21 -6.02 59.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.972 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.5 mt -81.61 -30.05 33.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 67.6 mmtt -137.73 -168.4 2.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.607 0.242 . . . . 10.0 111.03 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.85 154.84 43.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.823 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -124.95 121.01 33.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.528 -0.305 . . . . 10.0 110.728 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -79.3 139.12 37.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.674 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pp -120.24 152.81 37.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.834 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 53' ' ' ARG . 10.9 ttt180 -116.6 113.77 23.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.337 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.636 HG23 HG12 ' A' ' 67' ' ' ILE . 39.5 mt -99.4 113.37 34.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.06 107.98 18.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.896 0.379 . . . . 10.0 110.871 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -83.75 132.91 47.46 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.811 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 94.2 Cg_endo -82.83 150.08 14.2 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.311 2.008 . . . . 10.0 110.833 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -59.86 -18.11 47.52 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.53 2.153 . . . . 10.0 112.628 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.5 mp0 -84.66 5.02 29.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.587 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 15.6 t80 -56.0 137.17 73.29 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 110.343 -0.243 . . . . 10.0 110.343 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 65.3 Cg_endo -99.58 27.58 15.73 Favored 'Cis proline' 0 C--N 1.35 0.615 0 C-N-CA 124.241 -1.149 . . . . 10.0 113.565 0.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -76.09 -25.58 55.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 1.8 mmmm -118.78 137.74 25.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.672 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 37.5 Cg_endo -66.61 146.03 77.99 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.856 2.371 . . . . 10.0 112.927 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.595 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 58.2 Cg_endo -73.39 137.54 25.81 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.628 2.219 . . . . 10.0 111.601 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.0 mtm -84.76 107.61 17.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.502 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.636 HG12 HG23 ' A' ' 54' ' ' ILE . 55.4 mt -111.18 129.62 66.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.739 0.304 . . . . 10.0 110.47 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -139.51 165.06 28.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.864 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -91.12 135.38 33.81 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 121.039 -0.265 . . . . 10.0 111.039 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -89.63 -33.6 16.61 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.769 -0.826 . . . . 10.0 108.769 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 m -90.8 138.17 31.79 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.179 -0.919 . . . . 10.0 109.597 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -70.27 114.64 8.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.755 0.312 . . . . 10.0 110.682 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.6 tt -118.5 128.31 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.212 0.53 . . . . 10.0 111.643 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -81.75 79.88 8.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.315 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.566 ' HB3' HG23 ' A' ' 78' ' ' VAL . 4.5 t-80 -124.8 138.55 31.57 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.95 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 37.9 Cg_endo -66.36 -0.43 4.26 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.138 2.559 . . . . 10.0 113.557 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -120.72 15.45 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.989 0.423 . . . . 10.0 110.31 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.566 HG23 ' HB3' ' A' ' 75' ' ' HIS . 26.1 t -132.89 147.3 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 108.433 -0.951 . . . . 10.0 108.433 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.16 174.36 7.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.694 0.283 . . . . 10.0 110.902 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.48 -32.06 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 10.0 111.983 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.61 -49.36 26.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.956 0.408 . . . . 10.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.51 20.66 0.69 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.821 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -86.49 146.65 26.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 10.0 110.3 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.0 pt -137.36 157.41 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.493 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.1 m -119.62 127.81 53.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.112 -0.494 . . . . 99.99 109.671 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.498 ' HB3' HG22 ' A' ' 88' ' ' ILE . 5.5 mp -128.55 121.22 21.14 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.951 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -61.24 -26.3 81.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.721 2.281 . . . . 10.0 111.768 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.498 HG22 ' HB3' ' A' ' 86' ' ' LEU . 19.6 tt -67.83 -25.74 33.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.877 -0.601 . . . . 10.0 112.056 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.498 HG12 ' HB2' ' A' ' 86' ' ' LEU . 33.4 pt -123.2 21.17 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 10.0 110.7 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.9 p -74.52 149.86 40.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.366 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -11.38 54.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.073 0.463 . . . . 10.0 110.97 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -100.85 -5.27 26.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.144 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -163.59 103.15 0.93 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.861 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -150.08 138.29 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.509 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.461 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 74.6 mttt -120.76 123.48 27.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 27.3 Cg_exo -64.2 -12.81 34.45 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.826 2.351 . . . . 10.0 112.396 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.73 -0.27 57.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.518 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.461 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 4.0 m -82.38 127.05 32.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.845 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 38.8 mtpt -92.09 161.11 14.9 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 178.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -57.39 -33.02 67.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.953 0.406 . . . . 10.0 111.333 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.44 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -59.48 -33.29 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.4 179.743 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -75.24 -41.13 58.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.373 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.46 ' HA ' HD13 ' A' ' 88' ' ' ILE . 21.6 t -63.49 -45.54 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.455 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.93 -38.08 89.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.821 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 109' ' ' VAL . 31.0 tt0 -65.96 -46.91 76.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.116 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.28 83.59 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.55 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 111' ' ' VAL . 67.7 tp -64.95 -45.43 85.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.324 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -55.21 -39.48 69.71 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.723 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 105' ' ' GLU . 58.3 t -64.7 -44.61 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.232 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.72 -28.46 69.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 10.0 111.562 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 107' ' ' LEU . 97.0 t -76.07 -48.43 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.942 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -73.91 -27.62 61.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.17 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 113' ' ' ARG . 15.4 mmm180 -118.92 92.79 45.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.56 116.15 3.93 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.655 2.237 . . . . 10.0 111.641 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.37 106.56 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.423 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 19.1 pt -85.16 -11.0 11.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.612 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -75.04 -60.03 2.47 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.99 80.19 34.03 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.717 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -94.03 174.85 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.792 2.328 . . . . 10.0 111.759 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.6 mp -98.57 -12.68 20.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.24 0.543 . . . . 10.0 109.85 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.577 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 17.6 mtp180 -130.93 115.5 16.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.007 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 88.0 mtp -74.5 -11.15 60.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.438 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.577 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 33.6 p-10 -90.68 -57.11 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.54 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.557 HD22 ' HD3' ' A' ' 121' ' ' ARG . 5.7 mp -62.17 -40.34 95.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.895 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.28 89.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.695 0.283 . . . . 10.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.09 -41.49 74.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.254 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.21 -40.98 95.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.364 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.44 -38.62 91.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.319 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -35.19 62.16 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.981 -0.287 . . . . 10.0 111.105 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -70.63 -52.55 20.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.938 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -148.38 97.23 3.82 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.407 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.45 -38.64 93.78 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.287 2.658 . . . . 10.0 113.284 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 137' ' ' LYS . 28.5 tp10 -64.48 -43.14 95.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.73 -0.214 . . . . 10.0 111.308 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.0 tp -59.22 -45.92 89.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.012 0.434 . . . . 10.0 110.325 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.553 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 74.7 t80 -66.19 -41.29 90.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.992 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.454 HH12 ' CD ' ' A' ' 140' ' ' GLU . 23.7 ttp85 -61.04 -35.12 76.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 133' ' ' GLU . 61.9 mttm -63.23 -53.75 48.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 10.0 111.051 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -61.18 -42.64 98.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.138 0.494 . . . . 10.0 109.833 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.14 83.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.971 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.454 ' CD ' HH12 ' A' ' 136' ' ' ARG . 18.5 tt0 -62.53 -48.61 78.77 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.806 0.336 . . . . 10.0 110.271 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 5.0 tt0 -61.93 -42.15 98.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.986 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.09 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.649 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 32.7 m -63.43 -39.31 94.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.248 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 94.2 mt -81.35 -13.69 58.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.005 0.431 . . . . 10.0 111.726 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 1.3 ttp180 -92.13 -55.89 3.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -99.69 -23.02 15.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -60.4 140.52 48.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.127 -0.559 . . . . 10.0 113.408 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 10.5 t -81.01 152.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.782 -0.821 . . . . 10.0 108.782 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.81 133.54 51.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.713 0.292 . . . . 10.0 111.438 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 150' ' ' ARG . 11.2 ttt180 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.259 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.61 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.8 ptt? . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.855 0.359 . . . . 10.0 110.641 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -85.35 127.52 34.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 10.0 112.393 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.9 pt -129.27 162.67 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -119.51 131.47 55.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.53 0.205 . . . . 10.0 110.776 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.572 ' HB ' HG13 ' B' ' 13' ' ' ILE . 52.7 t -113.68 112.05 38.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -99.65 131.0 45.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.045 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 55.2 p -96.39 175.27 6.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.445 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.589 HD11 HG13 ' B' ' 70' ' ' VAL . 94.2 mt -72.29 -15.42 61.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.965 0.412 . . . . 10.0 110.703 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.59 10.41 30.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.147 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.24 -38.75 3.06 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.014 -0.612 . . . . 10.0 112.375 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -46.4 115.12 0.94 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.11 0.564 . . . . 10.0 111.254 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -108.64 119.55 39.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.713 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.572 HG13 ' HB ' ' B' ' 5' ' ' VAL . 21.6 pt -104.98 155.77 6.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.968 0.413 . . . . 10.0 111.405 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.46 142.78 30.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.185 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.706 HD11 ' HB3' ' B' ' 29' ' ' LYS . 19.3 tp -139.51 139.52 36.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.008 0.432 . . . . 10.0 111.703 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -99.18 107.94 20.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.568 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.9 m -137.66 168.71 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.2 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 23.4 mm-40 -125.14 154.69 71.68 Favored Pre-proline 0 C--N 1.319 -0.757 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 79.1 Cg_exo -52.0 -29.08 34.5 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.671 2.247 . . . . 10.0 113.034 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.31 -0.74 47.02 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.933 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -76.7 140.58 40.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.71 0.29 . . . . 10.0 110.316 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.41 ' O ' HG23 ' B' ' 26' ' ' VAL . 8.3 p -87.5 151.02 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.257 -0.645 . . . . 10.0 109.257 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 41.8 mm -58.33 -33.19 46.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.051 0.453 . . . . 10.0 110.244 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.626 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 1.0 OUTLIER -61.33 -43.61 98.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.142 178.381 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -69.65 -34.64 74.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 10.0 109.987 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 22' ' ' THR . 75.9 t -60.64 -44.14 96.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.582 178.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.65 -42.05 96.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.361 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.82 92.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.316 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.706 ' HB3' HD11 ' B' ' 15' ' ' LEU . 95.4 mttt -65.17 -35.47 81.18 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.219 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.1 mt -69.41 -41.72 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -64.8 -28.36 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.477 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.93 -34.06 77.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.813 -0.631 . . . . 10.0 112.191 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' B' ' 33' ' ' LYS . 15.6 ptpt -106.63 -40.32 5.57 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -89.16 -30.89 18.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.67 -10.92 73.52 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.625 -0.797 . . . . 10.0 113.025 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 25.4 mt -63.55 119.5 54.29 Favored Pre-proline 0 C--N 1.33 -0.258 0 C-N-CA 122.282 0.233 . . . . 10.0 111.089 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 25.0 Cg_exo -65.04 139.84 63.06 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.779 2.319 . . . . 10.0 111.528 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.23 -24.18 40.57 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.351 2.7 . . . . 10.0 112.974 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.66 -26.53 67.84 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.295 0.569 . . . . 10.0 110.498 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -109.28 16.32 22.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.862 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -104.49 108.52 20.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.601 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.541 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 54.7 ttt-85 -110.13 91.84 3.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.629 ' HB3' HD12 ' B' ' 50' ' ' LEU . 38.3 mt -82.07 119.9 24.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.943 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -119.45 132.24 69.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.188 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.498 ' HB3' HD21 ' B' ' 50' ' ' LEU . 79.7 t80 -149.19 134.12 18.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.914 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.19 37.17 26.23 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.145 0.498 . . . . 10.0 111.255 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.3 58.41 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.469 -0.787 . . . . 10.0 113.453 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -122.81 159.32 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.694 0.283 . . . . 10.0 110.859 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -92.43 134.44 34.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.065 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' B' ' 43' ' ' LEU . 60.2 mt -81.5 108.32 14.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.624 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 42.4 tt0 -73.93 134.13 43.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.276 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.626 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 3.5 m-20 -52.53 -41.49 63.54 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.75 -4.59 71.48 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.992 -0.623 . . . . 10.0 113.788 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.48 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 4.9 mmp_? -96.7 157.05 16.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.862 0.363 . . . . 10.0 110.432 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 34.5 p -102.54 174.4 5.91 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 89.7 mt -64.95 -35.5 81.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 10.0 110.831 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.0 m -68.6 -22.0 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.314 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.8 m-20 -62.67 -36.4 82.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.96 0.409 . . . . 10.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -104.09 10.87 35.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.665 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 56.52 52.48 9.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.64 0.733 . . . . 10.0 110.498 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.6 mt -96.01 110.46 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.098 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.92 -167.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.61 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 3.1 pttp -82.12 161.66 22.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.613 -0.435 . . . . 10.0 110.587 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 1.1 mp0 74.95 4.9 4.33 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.683 0.614 . . . . 10.0 112.114 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -78.16 140.22 38.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -104.17 107.69 18.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.01 0.433 . . . . 10.0 110.741 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 45.3 mt -84.74 148.82 26.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.869 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -104.8 114.79 29.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -98.96 107.21 19.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.1 0.476 . . . . 10.0 111.471 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.589 HG13 HD11 ' B' ' 8' ' ' LEU . 15.3 t -97.76 135.42 32.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.372 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.27 134.09 34.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.748 0.308 . . . . 10.0 111.398 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.69 179.743 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.707 0.289 . . . . 10.0 111.291 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -58.2 -32.0 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.946 -179.449 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 43.6 ttm -57.77 -45.15 86.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.08 -35.28 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.058 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.83 -44.29 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.374 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 3' ' ' SER . 92.3 t -63.44 -35.71 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.189 0.519 . . . . 10.0 109.756 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -65.58 -50.5 64.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.619 -0.718 . . . . 10.0 109.904 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 44.6 mt-10 -63.29 -33.82 76.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.473 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.8 tp -60.65 -51.36 69.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.516 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.59 -37.89 87.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.435 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.69 -40.38 87.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.365 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 mt -87.58 -28.05 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.618 0.599 . . . . 10.0 112.618 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -77.12 -40.55 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.964 -0.294 . . . . 10.0 111.694 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -75.9 -20.15 58.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.149 0.5 . . . . 10.0 110.672 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -140.06 73.36 32.6 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.743 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 72.2 Cg_endo -77.82 145.7 22.92 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.797 2.331 . . . . 10.0 113.237 -178.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 21' ' ' LEU . 3.4 Cg_exo -79.29 152.86 24.01 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 123.153 2.569 . . . . 10.0 110.733 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 38.2 Cg_exo -62.82 -21.21 72.89 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.954 2.436 . . . . 10.0 112.621 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -99.31 7.78 45.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.527 HD22 HD13 ' A' ' 104' ' ' LEU . 13.2 tp -139.77 114.01 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.774 0.321 . . . . 10.0 111.041 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.96 164.33 25.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.407 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 64.95 29.64 12.24 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.296 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 48.6 tp -70.24 102.93 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.74 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.67 144.94 49.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.451 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.69 161.74 28.28 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.531 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 19.4 t70 -61.42 152.63 29.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.097 0.475 . . . . 10.0 110.91 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.91 -19.52 51.64 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.829 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.62 -42.79 3.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.854 0.359 . . . . 10.0 111.361 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.531 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 3.1 t-20 -106.31 154.53 20.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.022 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 p -103.67 -15.57 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.247 0.546 . . . . 10.0 110.753 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 56' ' ' PHE . 92.4 mt -93.22 7.89 42.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.879 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.1 t -120.18 120.77 63.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.178 -0.464 . . . . 10.0 109.973 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.752 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 47.2 m0 -108.65 150.89 26.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.835 0.35 . . . . 10.0 111.075 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -133.69 124.31 26.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 24' ' ' LEU . . . -150.39 164.5 35.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.969 0.414 . . . . 10.0 111.735 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.9 mt -106.84 124.65 49.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.347 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 31.3 tp -90.98 136.29 33.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.592 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mp -113.24 89.73 15.08 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.603 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 12.2 Cg_exo -71.69 146.14 48.09 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.548 2.165 . . . . 10.0 110.637 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.98 -34.26 10.5 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 111.627 0.232 . . . . 10.0 111.627 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 5.5 tp-100 -59.73 119.82 44.01 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 31.2 Cg_exo -61.56 146.46 96.92 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.561 2.174 . . . . 10.0 110.791 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -94.66 19.63 34.44 Favored 'Cis proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.666 -1.389 . . . . 10.0 112.717 0.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -70.14 -5.49 27.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.017 0.437 . . . . 10.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -79.0 -20.22 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.19 -47.47 76.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 62.4 mmtt -124.07 -170.69 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.791 0.329 . . . . 10.0 111.347 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.23 164.86 19.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -130.03 141.84 50.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.654 0.264 . . . . 10.0 111.063 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -91.79 137.96 31.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.032 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -127.67 152.5 47.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.949 0.404 . . . . 10.0 111.057 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 53' ' ' ARG . 3.7 ttt180 -117.84 117.94 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.631 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.752 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 58.5 mt -100.39 111.85 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.73 111.68 23.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.775 0.322 . . . . 10.0 111.383 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.441 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 80.2 m-85 -88.13 127.13 58.53 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.376 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.517 ' HB2' ' OE1' ' A' ' 59' ' ' GLU . 82.2 Cg_endo -77.93 152.55 28.48 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.424 2.083 . . . . 10.0 111.466 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.43 -20.11 67.09 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.799 2.333 . . . . 10.0 112.664 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.764 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 2.0 mp0 -86.93 10.05 17.46 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.722 0.296 . . . . 10.0 111.507 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.602 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 10.9 t80 -60.1 142.4 89.49 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.602 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 94.2 Cg_endo -96.67 22.07 27.05 Favored 'Cis proline' 0 N--CA 1.459 -0.52 0 C-N-CA 124.297 -1.126 . . . . 10.0 113.607 0.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -78.55 -18.13 55.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.294 0.568 . . . . 10.0 110.359 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.764 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -116.8 130.16 24.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.386 -0.825 . . . . 10.0 108.806 178.696 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.68 143.29 96.39 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.022 2.481 . . . . 10.0 112.985 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 54.5 Cg_endo -70.91 140.3 38.05 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.581 2.187 . . . . 10.0 111.57 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mtm -93.17 101.81 14.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.655 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.562 HG12 HG23 ' A' ' 54' ' ' ILE . 47.3 mt -106.68 129.57 59.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.241 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 11.7 ptmm? -140.19 162.45 35.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.799 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -86.94 137.61 32.22 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.17 2.81 43.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.943 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.85 161.59 25.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.169 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -81.77 90.46 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 10.0 111.092 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.455 HG23 HG11 ' A' ' 78' ' ' VAL . 5.7 tt -105.21 116.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.142 0.496 . . . . 10.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.2 87.5 6.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.613 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -126.21 136.82 29.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.547 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.499 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 15.3 Cg_endo -57.1 -16.37 21.1 Favored 'Trans proline' 0 N--CA 1.477 0.536 0 C-N-CA 123.296 2.664 . . . . 10.0 113.826 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -115.34 21.37 14.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.646 0.26 . . . . 10.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.455 HG11 HG23 ' A' ' 73' ' ' ILE . 90.6 t -133.57 136.21 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.215 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.408 ' HB3' ' HB2' ' A' ' 83' ' ' GLN . 12.8 t70 -80.98 161.48 24.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.559 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -58.37 -30.63 66.93 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -89.43 -0.68 57.66 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.012 0.434 . . . . 10.0 111.344 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.2 15.23 48.79 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.583 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 7.8 mm100 -78.0 140.51 39.18 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.413 HG22 HG22 ' A' ' 78' ' ' VAL . 22.9 pt -134.13 170.47 19.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.866 0.365 . . . . 10.0 111.33 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.507 ' HB2' HD11 ' A' ' 120' ' ' LEU . 18.9 m -127.67 116.11 19.78 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.128 -1.064 . . . . 99.99 108.128 178.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.784 ' HG ' HG22 ' A' ' 88' ' ' ILE . 15.4 tp -131.2 109.83 15.21 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.752 0.31 . . . . 10.0 110.835 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.454 ' HD2' HD12 ' A' ' 86' ' ' LEU . 11.5 Cg_endo -54.34 -30.49 63.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.553 2.836 . . . . 10.0 113.939 -178.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.784 HG22 ' HG ' ' A' ' 86' ' ' LEU . 12.9 tt -68.02 -25.18 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.418 HG12 ' HB3' ' A' ' 86' ' ' LEU . 16.6 pt -117.18 25.19 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 121.24 0.543 . . . . 10.0 110.706 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.9 p -74.84 159.85 31.4 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.354 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m -82.51 7.67 13.79 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.126 0.489 . . . . 10.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -42.78 3.44 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.132 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.2 32.78 5.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.364 -0.38 . . . . 10.0 112.006 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -77.53 136.39 38.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.223 0.535 . . . . 10.0 111.683 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.434 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 46.0 mtpt -126.31 113.97 23.51 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.414 -0.958 . . . . 10.0 108.414 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.4 -23.14 53.7 Favored 'Trans proline' 0 N--CA 1.475 0.398 0 C-N-CA 123.391 2.727 . . . . 10.0 113.42 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.9 p -72.09 -21.64 61.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.279 -0.418 . . . . 10.0 111.495 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 1.8 m -73.94 132.2 42.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.003 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 60.1 mtpt -102.23 166.44 10.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.119 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -57.22 -29.24 63.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.63 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.22 76.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.051 0.453 . . . . 10.0 110.764 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -78.6 -34.33 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.735 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.77 -48.6 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.614 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.527 HD13 HD22 ' A' ' 21' ' ' LEU . 87.7 mt -62.47 -32.5 73.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.104 0.478 . . . . 10.0 110.941 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 109' ' ' VAL . 38.1 tt0 -66.64 -49.28 66.73 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.01 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.92 86.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.255 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 111' ' ' VAL . 63.0 tp -61.66 -47.02 87.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.786 178.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -37.94 75.51 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.573 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 105' ' ' GLU . 76.8 t -63.48 -47.76 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.669 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.19 -25.27 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.192 0.441 . . . . 10.0 112.192 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 107' ' ' LEU . 63.8 t -74.02 -47.24 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -74.94 -36.38 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.664 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -114.94 91.74 27.74 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.994 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.33 123.64 11.78 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.608 2.205 . . . . 10.0 112.314 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -79.51 108.77 13.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.518 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 30.3 pt -83.62 -10.85 11.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.659 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.0 mtp-105 -72.47 -51.34 20.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.214 0.53 . . . . 10.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -125.41 79.97 66.1 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.552 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -93.7 159.28 2.34 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.815 2.343 . . . . 10.0 112.099 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 85' ' ' CYS . 10.0 mp -90.74 -29.27 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.499 0.666 . . . . 10.0 109.286 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.481 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 15.0 mtp180 -120.45 105.2 10.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.193 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -33.07 75.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.384 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.481 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 14.8 p-10 -63.35 -47.35 82.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.406 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.666 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 2.3 mp -72.78 -39.39 66.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.798 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.5 94.01 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.056 0.455 . . . . 10.0 110.505 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.66 -51.96 59.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.118 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 48.5 tp -57.58 -39.94 77.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.3 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 tp -58.87 -39.5 81.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.316 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m -84.13 -33.61 24.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.562 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -71.76 -46.89 57.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.866 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -147.59 95.34 4.29 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.39 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.83 -36.94 99.06 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.998 2.465 . . . . 10.0 112.197 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -68.68 -44.69 73.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.089 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.98 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.076 0.465 . . . . 10.0 110.154 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.666 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 88.1 t80 -65.81 -41.65 91.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.843 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -59.78 -44.44 93.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.01 -41.47 90.95 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.737 0.303 . . . . 10.0 110.807 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -61.08 -49.95 75.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 10.0 109.832 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.64 75.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.203 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.05 -43.94 95.03 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.931 0.396 . . . . 10.0 109.983 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 10.9 tt0 -60.51 -48.55 81.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.93 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -42.75 99.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.741 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.9 m -62.97 -39.06 93.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.585 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 75.0 mt -89.02 3.93 50.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.132 0.492 . . . . 10.0 111.353 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 30.8 ttt180 -110.67 -47.95 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.486 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -123.13 29.58 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.68 0.276 . . . . 10.0 111.28 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -103.8 151.97 17.74 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.554 -0.832 . . . . 10.0 112.18 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 13.2 t -87.14 148.97 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -55.79 133.44 51.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.711 0.291 . . . . 10.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.087 -179.827 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.0 ptt? . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.829 0.347 . . . . 10.0 110.575 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -86.61 130.09 34.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.955 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.6 pt -127.25 172.52 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' B' ' 66' ' ' THR . 39.6 m-85 -123.02 134.6 54.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.903 0.382 . . . . 10.0 111.009 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.448 ' HB ' HG13 ' B' ' 13' ' ' ILE . 32.1 t -117.66 110.57 31.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -100.99 130.79 47.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.093 0.473 . . . . 10.0 111.261 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -91.95 171.47 9.1 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.047 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.576 HD11 HG13 ' B' ' 70' ' ' VAL . 48.1 mt -72.49 -13.68 61.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.919 0.39 . . . . 10.0 111.083 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -0.37 57.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.389 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.4 -17.77 58.31 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.92 -0.657 . . . . 10.0 113.35 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -67.91 113.8 5.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.778 0.323 . . . . 10.0 110.455 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -105.29 114.66 28.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.717 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.448 HG13 ' HB ' ' B' ' 5' ' ' VAL . 27.2 pt -103.52 144.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.048 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.5 137.01 32.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.517 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' B' ' 29' ' ' LYS . 14.3 tp -133.67 136.98 45.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.812 0.339 . . . . 10.0 110.771 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -109.58 113.68 26.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.36 0.6 . . . . 10.0 110.378 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.7 m -132.92 -177.29 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.29 -178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.479 ' O ' HD12 ' B' ' 56' ' ' LEU . 23.1 mm-40 -131.35 160.64 66.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.37 -25.82 67.67 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.804 2.336 . . . . 10.0 112.795 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.93 9.96 33.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.654 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -83.82 138.13 33.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.246 -0.279 . . . . 10.0 110.246 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.415 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -89.43 150.56 22.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.57 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.409 HD12 HD13 ' B' ' 50' ' ' LEU . 51.1 mm -56.69 -38.11 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 10.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -60.42 -42.31 95.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.468 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.89 -34.93 76.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.924 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 22' ' ' THR . 76.7 t -60.76 -43.24 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.68 -42.67 97.58 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.532 -0.758 . . . . 10.0 110.105 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.35 84.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.782 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.549 ' HB3' HD11 ' B' ' 15' ' ' LEU . 94.2 mttt -64.59 -38.43 90.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.579 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.71 -36.47 70.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.039 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -65.56 -25.84 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.783 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.98 -51.49 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.645 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.462 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 7.5 ptpt -78.77 -44.23 23.76 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.74 1.015 . . . . 10.0 113.74 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -88.99 -53.1 4.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.774 0.321 . . . . 10.0 111.695 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.36 -9.26 20.15 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.468 -0.873 . . . . 10.0 112.535 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -68.29 123.27 87.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.2 Cg_exo -61.37 141.55 92.83 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.947 2.431 . . . . 10.0 112.141 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.1 Cg_exo -56.53 -25.89 61.04 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.577 2.851 . . . . 10.0 113.153 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -67.99 -33.28 74.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.394 0.616 . . . . 10.0 110.483 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -95.89 5.5 51.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.796 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 67.6 mt-30 -95.98 106.14 18.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.58 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.643 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 56.2 ttt180 -107.03 93.91 4.81 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.528 ' HB3' HD12 ' B' ' 50' ' ' LEU . 57.7 mt -84.33 121.53 27.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.176 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mm -116.85 131.94 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.653 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.562 ' HB3' HD21 ' B' ' 50' ' ' LEU . 73.8 t80 -141.05 125.89 18.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.74 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 35.31 25.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.487 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.14 3.12 68.41 Favored Glycine 0 CA--C 1.519 0.289 0 CA-C-N 115.653 -0.703 . . . . 10.0 112.864 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -110.93 145.9 37.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.767 0.318 . . . . 10.0 110.619 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -89.9 125.71 35.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.916 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' B' ' 45' ' ' PHE . 36.4 mt -75.2 126.31 30.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.273 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -85.97 134.0 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.175 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -43.17 58.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.56 24.04 11.18 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.712 -0.756 . . . . 10.0 113.804 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -114.15 162.99 15.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.021 0.41 . . . . 10.0 109.899 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.82 160.55 15.16 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.479 HD12 ' O ' ' B' ' 18' ' ' GLU . 65.0 mt -63.34 -22.13 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 10.0 110.649 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -31.27 68.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.243 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -60.58 -38.69 85.43 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.937 0.399 . . . . 10.0 111.454 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -97.49 5.87 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.986 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 56.58 50.38 12.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.784 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.7 mt -84.23 111.7 20.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.26 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -92.15 -168.66 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.181 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.4 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 19.7 pttp -77.72 155.4 31.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.998 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 65.23 17.12 10.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.563 0.949 . . . . 10.0 113.563 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -77.27 150.82 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -113.04 112.1 23.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.244 0.545 . . . . 10.0 111.993 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.9 mt -93.01 143.62 26.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.518 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -100.33 123.28 44.36 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 tp -100.67 106.62 18.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.025 0.441 . . . . 10.0 111.747 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.643 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 50.4 t -94.27 126.92 46.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 tp -77.25 111.34 12.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 10.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.399 179.783 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.78 0.324 . . . . 10.0 111.232 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 7' ' ' VAL . 5.1 m -61.19 -30.19 70.27 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.5 mtt -57.1 -40.23 76.6 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.855 0.359 . . . . 10.0 110.873 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -80.01 -36.52 35.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.2 t -56.19 -51.22 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.803 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 3' ' ' SER . 40.9 t -62.11 -33.28 57.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.949 0.404 . . . . 10.0 110.509 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -68.97 -50.24 50.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.186 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.698 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.4 mt-10 -60.79 -39.31 88.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.56 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 14.6 tp -61.85 -46.92 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.528 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.52 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 9.9 tt0 -61.56 -39.28 90.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.228 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -61.11 -48.31 82.25 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 10.0 110.675 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.6 mt -71.17 -27.21 63.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.619 -0.719 . . . . 10.0 112.032 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -79.67 -28.7 40.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 10.0 111.339 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.52 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 85.9 mttt -75.29 -42.41 54.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.201 0.525 . . . . 10.0 109.741 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -127.81 80.23 72.36 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.053 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 65.1 Cg_endo -73.62 140.6 29.84 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.76 2.306 . . . . 10.0 113.196 -178.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 21' ' ' LEU . 12.3 Cg_exo -72.54 147.58 46.27 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.806 2.338 . . . . 10.0 110.396 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.6 Cg_exo -55.56 -34.73 90.88 Favored 'Trans proline' 0 N--CA 1.473 0.299 0 C-N-CA 122.746 2.297 . . . . 10.0 112.913 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -88.99 -1.08 57.94 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.496 ' HB3' ' HD2' ' A' ' 18' ' ' PRO . 15.4 tp -126.21 110.64 13.67 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.766 -0.373 . . . . 10.0 110.77 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -125.95 156.96 38.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.484 -0.326 . . . . 10.0 111.715 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.13 32.6 12.55 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.83 -0.623 . . . . 10.0 112.675 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.4 tp -73.57 111.42 8.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.025 0.44 . . . . 10.0 110.917 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.12 154.84 47.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.692 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.62 154.44 28.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.976 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.657 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 17.8 t70 -64.21 143.99 57.47 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.935 -0.394 . . . . 10.0 109.935 179.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.62 -30.94 71.73 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.65 -49.41 4.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.657 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 44.1 t30 -115.43 114.04 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.884 0.373 . . . . 10.0 111.896 -178.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.23 -17.07 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.86 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.75 -2.09 41.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.74 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 54' ' ' ILE . 80.5 t -114.85 121.44 66.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.713 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 48.0 m0 -103.93 142.55 34.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.912 0.387 . . . . 10.0 110.782 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -122.96 124.47 43.26 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.65 161.57 42.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.812 0.339 . . . . 10.0 111.413 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.89 123.88 49.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.215 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.511 ' HB2' HD23 ' A' ' 52' ' ' LEU . 27.4 tp -93.06 130.63 38.6 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 mp -118.2 92.47 42.84 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.309 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.18 146.91 47.03 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.488 2.125 . . . . 10.0 110.362 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -95.3 -21.38 18.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.118 0.485 . . . . 10.0 110.929 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 8.0 tp-100 -78.35 123.9 85.72 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.944 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 32.3 Cg_exo -62.62 154.42 65.22 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.617 2.212 . . . . 10.0 111.282 178.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -89.66 7.99 66.78 Favored 'Cis proline' 0 N--CA 1.463 -0.298 0 C-N-CA 123.72 -1.367 . . . . 10.0 112.619 0.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -70.46 -4.61 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.957 0.408 . . . . 10.0 111.058 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.12 -6.7 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.392 0.516 . . . . 10.0 112.392 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.4 mt -84.11 -33.17 24.38 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.183 0.438 . . . . 10.0 112.183 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 68.6 mmtt -131.35 -167.22 1.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.545 -0.298 . . . . 10.0 110.679 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.98 160.22 35.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.487 ' HD1' ' HB ' ' A' ' 71' ' ' THR . 83.6 m-85 -125.26 141.69 51.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.704 0.288 . . . . 10.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -93.62 128.0 39.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.005 0.431 . . . . 10.0 110.856 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.511 HD23 ' HB2' ' A' ' 38' ' ' LEU . 1.9 pp -111.26 146.54 36.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.98 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.95 109.94 18.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.512 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.713 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 48.4 mt -94.47 119.45 42.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.641 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.14 108.9 17.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.698 0.285 . . . . 10.0 111.566 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -84.42 129.2 58.63 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.33 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.692 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 90.7 Cg_endo -80.85 156.34 20.67 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.491 2.127 . . . . 10.0 111.447 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.78 -12.94 37.98 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.529 2.153 . . . . 10.0 112.188 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.6 mp0 -96.31 14.38 24.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.425 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.635 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 21.6 t80 -65.48 145.3 99.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.635 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 77.8 Cg_endo -94.21 15.49 42.96 Favored 'Cis proline' 0 C--N 1.345 0.378 0 C-N-CA 124.346 -1.106 . . . . 10.0 113.177 0.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -70.01 -32.74 71.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.77 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -105.6 132.36 20.95 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.368 178.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.742 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 37.5 Cg_endo -67.25 141.81 58.28 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.793 2.329 . . . . 10.0 112.871 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.692 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 54.8 Cg_endo -71.92 137.41 29.38 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.54 2.16 . . . . 10.0 111.514 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.7 mtm -88.72 106.69 18.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.915 0.388 . . . . 10.0 111.202 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.691 HG12 HG23 ' A' ' 54' ' ' ILE . 48.2 mt -104.24 126.89 58.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.825 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 11.5 ptmm? -136.36 164.86 27.13 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -94.56 136.22 35.11 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.148 -0.315 . . . . 10.0 110.148 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 m -89.66 -38.99 13.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.642 0.734 . . . . 10.0 109.454 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 146' ' ' PHE . 0.2 OUTLIER -83.69 153.89 23.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.94 179.625 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 72' ' ' LYS . 29.6 mmtm -82.56 106.13 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.967 0.413 . . . . 10.0 111.573 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.529 HG23 HG11 ' A' ' 78' ' ' VAL . 4.3 tt -109.75 120.85 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.857 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.03 83.47 5.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.458 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -126.32 137.38 30.16 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.413 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.477 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 19.6 Cg_endo -60.24 -9.43 10.48 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.256 2.638 . . . . 10.0 113.907 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 119' ' ' PRO . 14.2 m120 -119.47 19.73 12.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.719 0.295 . . . . 10.0 110.764 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.529 HG11 HG23 ' A' ' 73' ' ' ILE . 59.4 t -134.6 136.32 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.791 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.562 ' HB3' ' HB2' ' A' ' 83' ' ' GLN . 19.5 t70 -87.26 160.61 18.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.28 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -62.53 -21.01 65.22 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.332 0.864 . . . . 10.0 113.332 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.444 ' HB3' ' HG2' ' A' ' 83' ' ' GLN . 5.5 t-20 -89.66 0.15 57.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.606 . . . . 10.0 110.254 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.82 15.6 57.74 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.339 -0.704 . . . . 10.0 111.339 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 11.5 mm100 -81.23 143.47 32.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.728 0.299 . . . . 10.0 110.283 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.1 pt -141.11 179.46 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.2 m -134.06 113.05 11.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.772 -0.649 . . . . 99.99 109.486 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 89' ' ' ILE . 96.4 mt -118.38 107.44 43.19 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.834 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.47 -18.34 45.93 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 123.127 2.552 . . . . 10.0 112.615 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.501 HD13 ' HA ' ' A' ' 103' ' ' VAL . 19.9 tt -75.27 -25.4 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.565 -0.289 . . . . 10.0 111.5 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.486 ' HB ' ' HB2' ' A' ' 64' ' ' PRO . 27.6 pt -127.15 28.27 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.366 0.603 . . . . 10.0 110.141 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.4 p -84.07 161.85 20.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.646 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -19.39 63.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.027 0.441 . . . . 10.0 110.344 179.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.47 -34.23 21.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.782 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -140.51 111.84 7.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.263 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -155.78 137.99 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.721 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 52.6 mtpt -130.92 120.81 18.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.82 -17.99 53.72 Favored 'Trans proline' 0 N--CA 1.476 0.45 0 C-N-CA 123.131 2.554 . . . . 10.0 112.699 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -76.98 -9.92 59.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.446 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.2 m -85.24 136.08 33.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.047 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.698 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 54.8 mtpt -97.21 160.26 14.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.658 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.2 m -58.86 -28.35 66.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.371 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.28 -32.29 69.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.714 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -84.37 -32.57 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.537 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.501 ' HA ' HD13 ' A' ' 88' ' ' ILE . 41.0 t -65.51 -45.27 93.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.859 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.419 HD21 HD11 ' A' ' 54' ' ' ILE . 80.0 mt -64.84 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.457 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.33 -48.36 67.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.597 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.56 82.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.046 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 111' ' ' VAL . 63.6 tp -61.87 -47.42 85.1 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.021 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -59.8 -37.59 79.56 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.929 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.02 -45.67 96.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.496 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.14 -27.19 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.712 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 107' ' ' LEU . 70.2 t -74.67 -50.27 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.725 0.298 . . . . 10.0 110.828 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -71.92 -33.06 67.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.33 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -114.72 93.86 34.99 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.029 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.6 126.43 16.8 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 122.847 2.365 . . . . 10.0 112.562 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -84.64 102.76 13.18 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 pt -86.1 -8.46 11.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.888 0.375 . . . . 10.0 111.206 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.2 -43.17 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -126.3 74.55 73.15 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.03 -0.987 . . . . 10.0 109.418 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.457 ' HA ' ' ND2' ' A' ' 77' ' ' ASN . 93.3 Cg_endo -97.56 171.04 0.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.761 2.308 . . . . 10.0 112.747 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.8 mp -101.8 -28.78 12.24 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -120.26 95.62 4.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.51 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -58.08 -31.37 67.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.782 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -65.5 -48.79 71.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.069 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.4 mp -70.91 -31.22 67.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.616 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.6 -51.98 50.4 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.435 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.09 -35.68 81.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.699 0.285 . . . . 10.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.569 HD11 HD23 ' A' ' 134' ' ' LEU . 43.1 tp -60.29 -44.02 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.748 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 135' ' ' PHE . 50.7 tp -66.28 -29.24 69.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.018 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 m -80.65 -34.18 35.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.096 0.474 . . . . 10.0 110.373 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -75.71 -65.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -131.6 98.43 18.09 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.087 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.34 -42.27 70.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 123.159 2.573 . . . . 10.0 112.958 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.667 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 20.7 tp10 -61.78 -40.15 94.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.583 -0.281 . . . . 10.0 111.728 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.569 HD23 HD11 ' A' ' 127' ' ' LEU . 5.8 tp -60.21 -46.53 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 10.0 110.144 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.477 ' CZ ' ' HD3' ' A' ' 76' ' ' PRO . 73.5 t80 -69.29 -40.16 77.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.849 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -55.48 -48.75 74.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.028 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.667 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 61.6 mttm -66.75 -43.85 83.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -59.14 -44.56 92.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.613 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.67 -33.21 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.106 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -64.3 -44.74 90.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.807 0.337 . . . . 10.0 110.3 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.15 -40.15 80.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.802 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.6 -44.52 70.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.668 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.4 m -63.5 -38.6 91.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.633 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.08 -13.09 60.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.431 0.53 . . . . 10.0 112.431 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -108.36 -45.81 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.489 ' O ' HG22 ' A' ' 71' ' ' THR . 50.1 m-85 -107.14 18.48 21.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -105.63 151.37 17.1 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.733 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.493 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 3.6 t -85.32 154.78 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.928 -0.767 . . . . 10.0 108.928 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.43 149.28 39.0 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.783 -178.917 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.72 0.295 . . . . 10.0 110.323 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -95.89 130.82 42.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.059 0.457 . . . . 10.0 111.481 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 pt -124.48 161.22 28.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.734 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.44 ' HE2' ' HG3' ' B' ' 64' ' ' GLU . 94.7 m-85 -111.32 131.43 55.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.588 0.232 . . . . 10.0 110.639 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.53 ' HB ' HG13 ' B' ' 13' ' ' ILE . 24.0 t -114.69 115.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -103.5 123.43 46.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.935 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.452 HG22 HD23 ' B' ' 69' ' ' LEU . 39.8 p -92.95 168.66 11.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.066 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.479 HD11 HG13 ' B' ' 70' ' ' VAL . 91.3 mt -66.32 -16.59 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.048 0.451 . . . . 10.0 111.435 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.67 -1.63 57.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.87 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.08 -15.7 58.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.01 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -64.24 111.48 2.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.932 0.396 . . . . 10.0 109.948 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -102.63 118.76 37.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.795 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.53 HG13 ' HB ' ' B' ' 5' ' ' VAL . 31.1 pt -109.47 160.08 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.826 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.8 144.6 33.21 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 tp -137.24 139.16 40.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.618 0.247 . . . . 10.0 110.702 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -106.61 98.49 8.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 m -132.29 176.03 9.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.132 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 23.4 mm-40 -118.33 158.26 47.12 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 53.4 Cg_exo -54.92 -31.36 73.19 Favored 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 122.658 2.239 . . . . 10.0 112.934 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.55 1.01 23.92 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.9 OUTLIER -75.37 137.7 41.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.606 0.241 . . . . 10.0 110.664 179.575 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.6 148.56 27.09 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.531 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.8 mm -55.72 -36.45 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.665 0.269 . . . . 10.0 111.259 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -37.61 88.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.941 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -69.56 -37.96 77.22 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.89 -44.16 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.485 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.447 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 96.5 mttt -58.89 -43.11 90.92 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.661 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.56 90.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.955 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' B' ' 32' ' ' ASP . 64.9 mttm -68.18 -32.13 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.068 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 98.9 mt -69.18 -40.07 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -67.59 -25.28 65.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.301 0.572 . . . . 10.0 109.97 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 8.0 t70 -63.46 -39.35 94.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.591 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -99.84 -43.72 6.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.916 1.08 . . . . 10.0 113.916 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -89.94 -26.23 20.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 6.83 85.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.649 -0.786 . . . . 10.0 113.179 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.8 mt -76.16 120.7 82.81 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 122.722 -0.281 . . . . 10.0 110.617 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.503 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.9 Cg_exo -59.05 134.54 60.43 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.989 2.46 . . . . 10.0 112.207 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 23.6 Cg_exo -65.38 -18.22 59.68 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.089 2.526 . . . . 10.0 112.619 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -19.25 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.996 0.427 . . . . 10.0 111.377 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' B' ' 72' ' ' ARG . 35.1 mt-30 -120.48 15.57 12.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.212 0.529 . . . . 10.0 110.676 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 42.4 mt-30 -93.56 111.4 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.499 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 37.5 ttt180 -110.1 95.82 5.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.922 0.391 . . . . 10.0 110.053 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.702 ' HB3' HD12 ' B' ' 50' ' ' LEU . 35.4 mt -83.98 121.83 27.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.691 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.3 mm -117.11 131.7 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.495 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.57 ' HB3' HD21 ' B' ' 50' ' ' LEU . 79.0 t80 -136.12 120.26 17.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.103 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.95 27.11 14.25 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.444 0.465 . . . . 10.0 111.714 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.13 -5.3 85.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.152 -0.547 . . . . 10.0 112.634 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -97.75 145.26 26.54 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.793 -0.24 . . . . 10.0 110.369 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -86.29 125.67 33.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' B' ' 43' ' ' LEU . 44.5 mt -77.0 110.54 11.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.008 0.432 . . . . 10.0 111.264 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.758 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 0.9 OUTLIER -80.04 130.38 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.621 -179.426 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.531 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 3.8 m-20 -50.45 -37.0 35.95 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.376 0.88 . . . . 10.0 113.376 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.07 11.98 51.99 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.087 -0.577 . . . . 10.0 114.423 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.758 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 3.7 mmt180 -115.9 161.74 18.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.265 0.532 . . . . 10.0 110.718 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -102.85 171.72 7.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.973 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.513 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 77.5 mt -66.77 -31.03 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.884 0.374 . . . . 10.0 110.135 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -30.18 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.128 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -64.4 -39.0 93.01 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.993 0.425 . . . . 10.0 111.177 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -92.7 2.94 56.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.742 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 60.87 49.96 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.372 0.606 . . . . 10.0 110.793 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.2 mt -93.52 121.46 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.492 ' HG2' ' H ' ' B' ' 63' ' ' LYS . 7.1 tt0 -104.96 177.05 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.6 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.492 ' H ' ' HG2' ' B' ' 62' ' ' GLN . 10.5 pttp -67.51 160.08 28.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.394 -0.225 . . . . 10.0 110.394 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.44 ' HG3' ' HE2' ' B' ' 4' ' ' PHE . 0.4 OUTLIER 66.36 11.01 7.69 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.0 m -83.74 143.51 29.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -101.63 115.02 29.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.983 0.421 . . . . 10.0 111.973 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.9 mt -93.05 147.3 22.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -103.32 122.19 44.29 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 121.031 -0.268 . . . . 10.0 110.336 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.452 HD23 HG22 ' B' ' 7' ' ' THR . 44.2 tp -101.73 99.73 10.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.061 0.458 . . . . 10.0 110.729 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 38.5 t -91.38 124.61 43.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.869 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 mp -82.21 116.73 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.397 . . . . 10.0 110.372 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' B' ' 40' ' ' GLN . 55.6 ttp180 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.427 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.74 0.305 . . . . 10.0 111.264 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -55.02 -36.14 65.16 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 ttm -53.49 -46.4 70.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.588 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.428 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 3.2 ttt180 -74.53 -32.41 62.47 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.637 -0.425 . . . . 10.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.46 -40.77 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.82 -39.69 86.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -64.7 -48.46 74.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.35 -41.07 92.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.063 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 53.6 tp -61.94 -52.58 63.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.229 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -58.94 -39.56 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.404 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.57 -47.87 82.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.524 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 101' ' ' CYS . 97.6 mt -80.38 -16.82 53.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.152 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 50.7 mm-40 -71.51 -45.96 60.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.009 0.433 . . . . 10.0 110.164 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -82.97 -26.36 31.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.328 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 60.9 mmtt -129.47 79.51 73.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.861 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -89.93 132.76 1.99 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.353 2.702 . . . . 10.0 112.343 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 35.1 Cg_endo -66.84 145.46 74.84 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.523 2.149 . . . . 10.0 111.145 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 32.9 Cg_exo -59.6 -10.18 10.87 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.364 2.709 . . . . 10.0 113.959 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -105.31 5.59 32.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.514 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 13.7 tp -140.32 112.02 7.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.022 0.439 . . . . 10.0 111.239 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -125.4 172.47 9.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.591 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 m120 61.63 22.05 12.62 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.638 0.586 . . . . 10.0 111.429 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.89 108.76 1.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.53 157.74 45.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.214 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.87 164.45 19.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.477 -0.329 . . . . 10.0 110.123 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.671 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 13.0 t70 -71.46 146.08 48.84 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.65 -28.09 67.42 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.616 0.598 . . . . 10.0 112.616 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.06 -11.67 14.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.671 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 47.9 t-20 -146.21 130.42 17.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.964 0.411 . . . . 10.0 111.441 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.97 -14.02 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.164 0.507 . . . . 10.0 110.25 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.3 mt -87.38 11.68 13.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.44 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 64.4 t -130.72 124.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.619 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 45.9 m0 -110.04 150.61 28.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.84 0.352 . . . . 10.0 111.37 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -131.81 123.59 27.9 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.53 162.03 41.41 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.882 0.372 . . . . 10.0 111.635 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 mt -107.12 121.47 44.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.983 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 21.6 tp -88.47 131.78 34.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.793 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mp -114.15 90.16 19.23 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 16.5 Cg_exo -68.95 158.34 58.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.348 2.032 . . . . 10.0 110.373 179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -109.54 -30.47 7.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.681 0.277 . . . . 10.0 111.414 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.468 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.9 tp-100 -61.58 126.61 87.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.495 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 17.5 Cg_exo -67.98 143.49 60.5 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.596 2.198 . . . . 10.0 111.249 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HB2' HD12 ' A' ' 47' ' ' LEU . 85.2 Cg_endo -98.99 24.05 20.63 Favored 'Cis proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.903 -1.29 . . . . 10.0 112.188 0.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -67.23 -18.21 65.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 10.0 111.421 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.41 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 15.6 p80 -82.54 4.84 22.89 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.714 HD22 HD21 ' A' ' 144' ' ' LEU . 2.8 mt -77.34 -31.56 54.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.165 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 65.3 mmtt -139.98 -167.25 2.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.233 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.47 159.04 37.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -124.7 139.35 53.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.691 0.281 . . . . 10.0 110.911 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -93.68 135.69 34.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.602 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 pp -122.87 152.73 40.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.151 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -118.01 114.66 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.217 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.65 HG23 HG12 ' A' ' 67' ' ' ILE . 51.7 mt -96.94 119.89 45.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.909 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -110.17 109.24 19.66 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.724 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -84.31 126.12 70.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.777 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.612 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 43.2 Cg_endo -68.96 147.45 68.05 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.282 1.988 . . . . 10.0 111.101 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.47 -22.08 70.48 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.836 2.357 . . . . 10.0 112.194 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -96.29 15.45 21.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.472 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -56.71 139.82 76.01 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -97.16 24.06 23.29 Favored 'Cis proline' 0 N--CA 1.459 -0.518 0 C-N-CA 124.306 -1.122 . . . . 10.0 113.629 0.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -71.81 -19.3 62.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.31 0.576 . . . . 10.0 109.823 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -119.69 147.38 43.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.14 -0.937 . . . . 10.0 108.986 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.08 135.67 23.4 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.381 2.054 . . . . 10.0 112.864 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.612 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 54.0 Cg_endo -71.99 123.57 9.39 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.541 2.16 . . . . 10.0 110.891 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 75.9 mtm -81.3 117.5 21.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.036 0.446 . . . . 10.0 111.193 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.65 HG12 HG23 ' A' ' 54' ' ' ILE . 56.2 mt -116.63 126.15 73.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.6 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 10.4 ptmm? -135.98 161.64 35.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -88.41 141.1 28.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.774 0.321 . . . . 10.0 110.412 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.48 -23.21 17.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.453 0.644 . . . . 10.0 109.61 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.74 152.16 22.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.895 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.679 ' HB3' ' HE2' ' A' ' 142' ' ' PHE . 40.9 mttt -78.48 118.04 20.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 10.0 111.568 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.472 HG23 HG11 ' A' ' 78' ' ' VAL . 5.1 tt -123.39 121.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.588 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.44 84.56 3.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.119 0.485 . . . . 10.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.48 ' HB3' HG23 ' A' ' 78' ' ' VAL . 12.6 t-80 -128.94 137.58 31.31 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.552 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 26.0 Cg_endo -61.6 -7.04 8.15 Favored 'Trans proline' 0 N--CA 1.478 0.58 0 C-N-CA 123.026 2.484 . . . . 10.0 113.835 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -119.84 20.55 12.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.735 0.302 . . . . 10.0 110.709 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 75' ' ' HIS . 54.7 t -132.85 141.12 45.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.58 164.12 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.111 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.407 ' O ' ' HE2' ' A' ' 72' ' ' LYS . 49.8 mm-40 -55.92 -35.58 66.76 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.953 0.723 . . . . 10.0 112.953 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.42 -3.79 58.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.15 13.73 44.67 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.795 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.65 146.07 34.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.807 0.303 . . . . 10.0 110.366 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.49 173.48 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.965 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.646 ' HB2' HD11 ' A' ' 120' ' ' LEU . 2.3 m -133.6 113.22 12.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.02 -0.537 . . . . 99.99 109.83 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.512 ' HB3' HG22 ' A' ' 88' ' ' ILE . 5.8 mp -119.94 115.44 33.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.062 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.88 -20.49 52.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.0 2.467 . . . . 10.0 112.243 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' A' ' 103' ' ' VAL . 19.3 tt -71.59 -30.83 40.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.484 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.5 pt -113.22 14.03 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 10.0 111.005 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.9 p -71.61 144.91 49.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.391 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -22.62 64.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.01 0.433 . . . . 10.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -88.95 4.49 47.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.807 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -165.8 47.21 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.521 0.563 . . . . 10.0 112.521 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -100.4 132.29 45.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.867 0.365 . . . . 10.0 111.086 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -123.4 123.24 26.55 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.51 -18.38 59.43 Favored 'Trans proline' 0 N--CA 1.474 0.375 0 C-N-CA 123.22 2.614 . . . . 10.0 113.032 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 -16.98 59.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.002 0.43 . . . . 10.0 111.617 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.42 135.52 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.755 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 23.4 mtpp -89.57 153.64 20.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.3 m -58.37 -29.64 66.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.598 ' HB3' HD21 ' A' ' 13' ' ' LEU . 3.7 p -62.3 -35.88 80.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.782 0.325 . . . . 10.0 111.122 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -70.21 -35.51 73.93 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.092 0.473 . . . . 10.0 110.185 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.596 ' HA ' HD13 ' A' ' 88' ' ' ILE . 48.3 t -64.9 -46.09 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.56 179.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.406 HD13 HD22 ' A' ' 21' ' ' LEU . 80.8 mt -64.58 -33.22 75.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.197 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 109' ' ' VAL . 41.5 tt0 -65.09 -49.08 71.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.524 178.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.31 84.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.236 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 111' ' ' VAL . 64.5 tp -61.11 -48.91 79.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.766 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -58.59 -40.61 83.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.67 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 105' ' ' GLU . 98.4 t -64.03 -44.4 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.431 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.29 -29.66 69.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.93 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 107' ' ' LEU . 77.6 t -74.08 -49.97 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.852 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -73.13 -33.76 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.928 0.394 . . . . 10.0 111.459 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 114' ' ' PRO . 23.3 mmm180 -115.16 93.24 34.6 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 113' ' ' ARG . 36.0 Cg_endo -64.02 144.02 86.47 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.808 2.338 . . . . 10.0 112.999 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.493 ' ND2' ' HB2' ' A' ' 118' ' ' GLU . 35.0 t30 -107.32 105.25 15.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.115 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.9 pt -86.61 -10.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.0 mtp-105 -74.39 -40.62 61.94 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.493 ' HB2' ' ND2' ' A' ' 115' ' ' ASN . 16.9 mp0 -131.51 74.14 78.73 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 178.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -92.86 159.31 2.75 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.699 2.266 . . . . 10.0 112.435 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.1 mp -91.98 -28.78 17.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 179.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.57 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 16.6 mtp180 -123.85 103.82 8.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.7 tpt -64.25 -31.92 73.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.697 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.57 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 24.4 p-10 -63.01 -48.71 77.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.166 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.468 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.9 mp -72.78 -35.06 67.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.149 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.42 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.616 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.47 -42.26 99.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.423 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.409 HD11 HD23 ' A' ' 134' ' ' LEU . 34.9 tp -56.81 -47.67 79.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.323 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.432 HD13 ' CD2' ' A' ' 135' ' ' PHE . 58.4 tp -67.24 -28.54 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.716 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.9 m -83.02 -32.35 26.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.154 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -80.99 -44.69 17.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -148.39 96.95 3.84 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.699 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.426 ' HA ' HD12 ' A' ' 128' ' ' LEU . 48.8 Cg_exo -57.6 -37.71 96.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.964 2.443 . . . . 10.0 111.971 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -67.6 -41.01 84.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.368 . . . . 10.0 111.068 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.409 HD23 HD11 ' A' ' 127' ' ' LEU . 13.6 tp -62.61 -43.59 98.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 10.0 110.223 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.552 ' CZ ' ' HD3' ' A' ' 76' ' ' PRO . 87.7 t80 -67.98 -39.02 83.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.513 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -60.47 -37.82 82.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.58 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -64.48 -48.19 76.13 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.033 0.444 . . . . 10.0 109.861 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -60.43 -42.98 97.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.252 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.5 90.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.295 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.46 -52.27 65.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.649 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -57.53 -44.62 85.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.761 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.679 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -64.02 -48.37 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.597 -179.475 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.9 m -65.45 -40.1 92.83 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.714 HD21 HD22 ' A' ' 47' ' ' LEU . 29.9 mt -73.74 -13.09 60.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.056 0.761 . . . . 10.0 113.056 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -113.42 -42.45 3.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.063 0.764 . . . . 10.0 113.063 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -101.74 -0.26 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -93.9 155.73 22.12 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.396 -0.907 . . . . 10.0 112.78 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.564 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 38.7 t -82.48 145.25 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 11.3 t0 -56.42 142.18 39.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 10.0 111.61 -178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 11.4 tpt180 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.448 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -96.74 124.86 40.85 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.816 0.341 . . . . 10.0 111.636 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 pt -111.17 167.19 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' B' ' 66' ' ' THR . 68.8 m-85 -121.9 114.95 21.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.773 0.32 . . . . 10.0 111.082 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.565 ' HB ' HG13 ' B' ' 13' ' ' ILE . 22.0 t -100.21 114.37 38.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -105.35 132.16 51.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.973 0.416 . . . . 10.0 110.835 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.4 p -97.33 169.98 9.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.435 HD11 HG13 ' B' ' 70' ' ' VAL . 29.9 mt -71.36 -6.94 43.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.501 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.25 0.79 54.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.175 0.512 . . . . 10.0 110.903 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.76 -14.87 61.93 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.734 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -70.84 126.54 29.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.77 0.319 . . . . 10.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -114.71 130.13 56.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.086 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.565 HG13 ' HB ' ' B' ' 5' ' ' VAL . 18.9 pt -118.16 137.98 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 10.0 111.529 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.45 140.7 29.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.715 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 tp -143.48 126.69 16.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.828 0.346 . . . . 10.0 111.262 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -92.51 113.33 25.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.068 0.461 . . . . 10.0 110.34 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.71 177.19 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.537 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 25.0 mm-40 -131.1 157.91 76.71 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.878 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 78.5 Cg_exo -52.66 -32.98 57.16 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.957 2.438 . . . . 10.0 113.014 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.23 0.05 12.98 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -86.93 141.18 28.91 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.552 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.8 OUTLIER -88.7 150.5 22.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.531 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.8 mm -54.68 -38.03 41.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.69 0.281 . . . . 10.0 111.106 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 26.0 tt0 -59.81 -45.95 90.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.544 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 55.5 t30 -65.87 -35.78 81.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.378 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.83 -44.46 99.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.191 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.22 -41.45 88.66 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.827 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.02 83.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.297 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 80.6 mttt -68.44 -34.32 75.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.762 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.86 -43.04 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.854 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -63.34 -27.66 69.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.122 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.52 -46.44 72.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.861 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -86.83 -41.2 14.23 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -86.63 -67.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.875 0.369 . . . . 10.0 110.686 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.86 -14.98 5.18 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.364 -0.922 . . . . 10.0 112.946 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.3 mt -64.09 120.7 66.49 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.407 0.146 . . . . 10.0 110.992 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.4 Cg_exo -60.76 148.85 90.57 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.112 2.541 . . . . 10.0 112.193 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 36.0 Cg_exo -58.71 -27.95 84.97 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.117 2.545 . . . . 10.0 112.651 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.88 -21.62 63.31 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.516 0.674 . . . . 10.0 110.612 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.775 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 33.6 mt-30 -107.17 10.02 30.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.33 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -101.82 99.71 9.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.976 0.417 . . . . 10.0 112.119 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.693 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 55.2 ttt180 -104.97 91.25 3.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.467 ' HB3' HD12 ' B' ' 50' ' ' LEU . 44.8 mt -80.89 123.76 28.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.703 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 25.0 mm -116.02 128.17 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.956 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.867 ' HB3' HD21 ' B' ' 50' ' ' LEU . 93.4 t80 -144.91 135.88 24.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.229 -0.442 . . . . 10.0 109.991 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.45 26.83 16.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.038 0.446 . . . . 10.0 111.829 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.29 8.31 87.71 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.861 -0.685 . . . . 10.0 113.391 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.461 ' HE2' ' HD1' ' B' ' 59' ' ' TYR . 15.9 pttm -133.24 164.35 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.265 0.532 . . . . 10.0 111.674 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -83.73 150.27 25.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.867 HD21 ' HB3' ' B' ' 45' ' ' PHE . 35.4 mt -97.64 112.81 24.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.578 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.739 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 30.1 tt0 -71.75 135.88 46.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.806 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.557 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 13.0 m-20 -59.48 -24.44 63.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.739 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -86.42 -6.13 81.34 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.854 -0.689 . . . . 10.0 113.047 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.58 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 2.6 mmp_? -93.97 160.39 14.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.342 . . . . 10.0 110.442 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 80.6 p -103.3 176.81 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 178.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.878 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 46.7 mt -68.55 -26.43 65.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.217 0.532 . . . . 10.0 110.004 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -27.61 61.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.715 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.84 -31.13 71.36 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.339 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.461 ' HD1' ' HE2' ' B' ' 48' ' ' LYS . 98.4 m-85 -107.23 9.24 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.038 -0.528 . . . . 10.0 112.071 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 56.05 50.76 13.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.215 0.531 . . . . 10.0 111.385 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.5 mt -88.46 123.46 40.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.528 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -100.5 -179.08 3.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.537 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -72.19 150.25 43.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.78 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 67.71 12.07 8.67 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -77.54 133.17 38.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.752 0.311 . . . . 10.0 110.487 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 8.6 m -89.74 130.08 36.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.1 mt -108.83 144.16 37.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -97.27 115.84 28.38 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.372 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 tp -100.7 105.31 16.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.164 0.506 . . . . 10.0 111.25 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.693 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 41.7 t -89.53 127.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.648 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 70.5 mt -76.9 113.65 14.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.735 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.775 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 5.3 ttp180 . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 10.0 111.203 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.631 0.253 . . . . 10.0 111.269 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.409 ' O ' HG23 ' A' ' 7' ' ' VAL . 1.1 m -58.99 -32.88 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.241 0.46 . . . . 10.0 112.241 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 55.4 ttm -56.8 -43.61 81.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.262 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -69.57 -36.33 76.18 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.57 -45.59 93.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.521 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 3' ' ' SER . 53.6 t -62.45 -40.22 87.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.922 0.391 . . . . 10.0 110.212 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -66.55 -45.37 79.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.542 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.04 -38.0 89.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.212 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.23 -49.42 77.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.108 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -60.51 -41.69 94.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.905 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -60.24 -50.66 72.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.3 mt -74.03 -22.77 59.43 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -79.79 -41.54 26.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.945 0.402 . . . . 10.0 111.104 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -76.48 -30.48 57.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.403 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -130.51 75.95 78.24 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.745 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -91.58 147.95 3.41 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.3 2.667 . . . . 10.0 113.114 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.578 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 56.5 Cg_endo -73.2 151.52 49.26 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.546 2.164 . . . . 10.0 110.9 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 31.4 Cg_exo -61.47 -21.06 70.92 Favored 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 123.075 2.516 . . . . 10.0 113.243 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -95.11 8.93 41.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.578 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 17.8 tp -141.24 122.63 14.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.93 0.395 . . . . 10.0 111.004 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -135.7 169.24 17.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.611 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 64.56 21.05 12.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.309 -0.405 . . . . 10.0 112.086 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 tp -65.94 107.79 1.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.123 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.91 165.04 29.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.054 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -174.43 4.3 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.149 -0.315 . . . . 10.0 110.149 179.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.508 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 27.8 t70 -84.14 162.74 20.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.96 -31.42 72.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.162 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -135.46 16.26 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.796 0.295 . . . . 10.0 111.796 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 7.7 t-20 -144.83 139.61 27.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.097 0.475 . . . . 10.0 111.537 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.58 -17.08 6.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.352 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -89.79 5.93 43.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.126 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.508 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 79.3 t -123.9 115.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.834 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 38.1 m0 -101.08 145.55 28.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.018 0.437 . . . . 10.0 111.141 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -126.95 126.05 42.56 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.661 -0.866 . . . . 10.0 108.661 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.41 160.45 41.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.88 0.371 . . . . 10.0 111.812 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.8 mt -107.14 120.11 41.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.599 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -90.88 134.1 34.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.758 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.94 92.18 29.5 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.343 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.57 152.2 82.49 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.521 2.148 . . . . 10.0 111.824 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -98.93 -35.16 10.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.062 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 6.0 tp-100 -65.81 125.61 90.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.31 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 23.4 Cg_exo -67.43 150.18 80.6 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.729 2.286 . . . . 10.0 110.608 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -92.85 16.04 44.62 Favored 'Cis proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.678 -1.384 . . . . 10.0 112.22 0.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -65.18 -21.47 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.178 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -73.0 -4.84 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -80.57 -27.23 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.633 0.254 . . . . 10.0 111.198 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.685 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 43.0 mmtt -136.89 -168.5 2.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.144 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.94 161.58 31.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.94 136.67 49.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.627 -0.261 . . . . 10.0 110.82 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -91.01 132.61 35.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.835 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -118.84 151.36 38.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.296 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.46 114.46 22.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.894 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.834 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 54.7 mt -95.81 117.35 39.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.9 111.3 23.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.233 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.467 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 86.0 m-85 -89.52 129.1 48.35 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.269 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.542 ' HG2' ' HB3' ' A' ' 63' ' ' LYS . 3.0 Cg_exo -78.17 151.35 26.74 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.831 2.354 . . . . 10.0 110.912 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.89 -18.77 62.92 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.664 2.243 . . . . 10.0 112.794 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.45 16.65 8.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.784 0.326 . . . . 10.0 111.484 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.582 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 15.8 t80 -61.91 142.27 95.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.582 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 66.1 Cg_endo -96.16 21.67 28.42 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 124.263 -1.14 . . . . 10.0 113.16 0.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -75.65 -19.48 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.448 0.642 . . . . 10.0 109.791 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.542 ' HB3' ' HG2' ' A' ' 57' ' ' PRO . 4.7 mmtm -113.86 136.31 22.09 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.277 -0.874 . . . . 10.0 109.34 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 57.0 Cg_endo -71.85 136.17 27.12 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.86 2.374 . . . . 10.0 112.865 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 48.0 Cg_endo -70.33 128.05 14.98 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.692 2.261 . . . . 10.0 111.411 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.7 mtm -84.81 109.3 17.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.78 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.676 HG12 HG23 ' A' ' 54' ' ' ILE . 50.6 mt -107.13 123.61 62.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.115 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 5.7 ptmm? -132.85 157.73 44.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.11 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -85.11 130.8 34.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.88 -33.72 24.73 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.201 -0.454 . . . . 10.0 109.956 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.08 148.49 22.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.43 -0.805 . . . . 10.0 109.961 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 146' ' ' PHE . 36.0 mtpt -72.69 121.68 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 10.0 111.408 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.5 tt -125.72 127.21 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.743 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.511 ' CZ ' HD11 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -82.74 84.35 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.043 0.449 . . . . 10.0 110.52 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' HB3' HG23 ' A' ' 78' ' ' VAL . 7.7 t-80 -131.65 132.4 23.37 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 18.1 Cg_endo -58.23 -13.28 15.59 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.108 2.539 . . . . 10.0 114.025 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -105.38 3.93 30.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.368 0.604 . . . . 10.0 110.808 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 84' ' ' ILE . 21.4 t -125.34 144.32 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.164 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -94.55 168.4 10.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.001 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.79 -31.15 70.53 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.715 HD22 ' HG2' ' A' ' 83' ' ' GLN . 7.7 t30 -75.18 -29.79 60.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.183 0.516 . . . . 10.0 110.676 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.32 13.17 7.71 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.344 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.715 ' HG2' HD22 ' A' ' 81' ' ' ASN . 20.2 mm100 -86.96 153.87 21.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.84 0.352 . . . . 10.0 110.544 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.53 HG22 HG22 ' A' ' 78' ' ' VAL . 15.8 pt -133.71 -167.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.723 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.559 ' HB2' HD11 ' A' ' 120' ' ' LEU . 4.5 m -140.63 91.41 2.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.074 -0.512 . . . . 99.99 109.888 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.433 ' CB ' HG12 ' A' ' 89' ' ' ILE . 11.5 mt -103.14 107.93 57.08 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -58.18 -22.95 59.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.632 2.221 . . . . 10.0 111.859 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.502 HG23 HG23 ' A' ' 89' ' ' ILE . 21.3 tt -72.32 -29.62 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.772 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.502 HG23 HG23 ' A' ' 88' ' ' ILE . 47.2 pt -106.97 17.55 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 121.107 0.48 . . . . 10.0 111.263 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.0 p -78.97 144.61 34.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.014 -0.736 . . . . 10.0 109.014 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.87 0.22 6.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.942 0.401 . . . . 10.0 111.734 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -93.48 -32.45 14.18 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.609 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -134.22 33.07 3.37 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.036 0.754 . . . . 10.0 113.036 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -79.84 133.85 36.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.249 0.547 . . . . 10.0 111.279 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 3.3 mppt? -120.33 122.86 28.52 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.759 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 32.0 Cg_exo -60.88 -18.44 56.81 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.953 2.435 . . . . 10.0 112.575 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 2.9 p -82.12 -0.1 43.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.521 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -87.69 130.49 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.828 0.346 . . . . 10.0 110.166 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -93.73 156.14 16.85 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.7 m -57.24 -29.48 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 10.0 111.693 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.54 -40.45 83.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.01 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.6 -35.01 67.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 10.0 110.328 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -65.38 -44.67 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.143 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.54 -36.05 82.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.825 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 109' ' ' VAL . 28.9 tt0 -65.67 -44.94 84.75 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.59 84.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.391 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 111' ' ' VAL . 62.4 tp -62.65 -45.68 91.71 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.517 179.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.45 -38.16 76.95 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.041 0.448 . . . . 10.0 110.181 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 105' ' ' GLU . 99.5 t -62.99 -45.76 98.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.329 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.47 -28.86 68.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.91 0.386 . . . . 10.0 111.613 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 107' ' ' LEU . 74.9 t -72.65 -51.5 27.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.526 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.48 -32.53 68.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.03 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 113' ' ' ARG . 15.0 mmm180 -115.18 92.5 31.84 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.064 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.61 110.36 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.681 2.254 . . . . 10.0 111.918 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -68.45 108.41 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.726 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 pt -88.28 -8.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.495 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -74.36 -55.16 6.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -127.01 79.25 73.22 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.999 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -97.67 171.07 0.73 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.978 2.452 . . . . 10.0 112.041 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.5 mp -92.05 -33.65 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.593 0.711 . . . . 10.0 109.115 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.548 ' HD3' HD22 ' A' ' 124' ' ' LEU . 16.0 mtp180 -112.77 94.91 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.753 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.449 ' HB2' HG21 ' B' ' 9' ' ' THR . 96.0 mtp -62.96 -27.54 69.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.057 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.41 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 20.0 p-10 -67.92 -45.44 74.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.709 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.66 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.7 mp -71.24 -38.31 71.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.784 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.8 86.86 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.364 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 37.5 t70 -67.18 -40.1 86.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.915 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.5 tp -57.03 -45.6 83.01 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 10.0 110.25 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 132' ' ' PRO . 58.2 tp -66.73 -26.08 66.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.788 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.1 m -78.72 -39.52 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.487 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 73.6 mm-40 -75.85 -53.12 8.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.405 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -145.95 101.19 4.21 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.502 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 128' ' ' LEU . 38.5 Cg_exo -62.64 -35.39 70.16 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 123.062 2.508 . . . . 10.0 112.265 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -66.95 -40.92 87.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.961 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.66 -42.2 98.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.198 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.66 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 56.9 t80 -69.52 -38.38 77.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.74 -0.663 . . . . 10.0 110.01 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -58.23 -41.52 84.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.338 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -62.73 -46.14 89.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 10.0 110.906 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -63.34 -47.68 81.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.56 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.37 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.35 -51.4 68.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.461 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.19 -43.65 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.403 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.46 -43.2 97.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.576 HG22 ' HB2' ' A' ' 48' ' ' LYS . 32.2 m -65.87 -43.25 88.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.648 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 29.2 mt -83.21 8.81 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -125.62 -49.8 1.63 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.447 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 94.3 m-85 -97.31 -22.34 16.71 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.314 0.486 . . . . 10.0 112.314 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -77.5 172.16 55.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.96 -0.638 . . . . 10.0 113.062 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.595 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 3.1 t -96.25 158.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.685 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 2.4 t0 -63.11 155.84 26.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.029 0.442 . . . . 10.0 111.758 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 8.0 tpt180 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.361 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.653 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 12.4 ptt? . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -85.22 118.75 24.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.785 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -126.07 168.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -126.71 131.73 51.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 10.0 111.713 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.55 123.29 67.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -107.63 131.86 53.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.894 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.453 HG22 HD23 ' B' ' 69' ' ' LEU . 16.7 p -91.69 173.28 7.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.459 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.6 -18.45 65.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.641 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 122' ' ' MET . 0.2 OUTLIER -89.88 -4.78 57.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.852 0.358 . . . . 10.0 111.258 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.85 -13.92 65.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.821 -0.704 . . . . 10.0 112.423 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -60.85 110.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.24 129.84 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.768 0.318 . . . . 10.0 110.805 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.2 pt -121.54 144.75 29.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.773 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -91.04 142.81 27.37 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -137.02 138.69 40.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.499 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -107.78 98.87 8.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 10.0 109.961 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.653 ' O ' ' HG2' ' B' ' 1' ' ' MET . 4.5 m -139.12 153.6 24.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.421 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 31.1 mm-40 -99.86 159.67 29.31 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.83 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 55.4 Cg_exo -55.26 -26.31 51.31 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.513 2.142 . . . . 10.0 112.245 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -3.17 41.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.84 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.5 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -78.63 130.33 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.301 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.73 150.62 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.167 -0.469 . . . . 10.0 109.928 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 45.2 mm -57.81 -38.75 67.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 10.0 110.655 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.567 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 27.1 tt0 -64.01 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.006 0.431 . . . . 10.0 110.02 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -67.13 -35.49 79.84 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.415 ' O ' HG13 ' B' ' 30' ' ' ILE . 75.0 t -64.56 -48.22 85.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.238 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.26 -44.81 80.08 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.46 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.66 80.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.129 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -74.08 -28.8 61.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.007 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 26' ' ' VAL . 95.4 mt -70.05 -39.39 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -70.11 -21.41 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.064 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.98 -42.01 70.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.599 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.479 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 0.2 OUTLIER -88.55 -52.27 5.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.781 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -82.12 -57.73 3.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.771 0.32 . . . . 10.0 111.386 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.73 -0.02 19.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.516 -0.849 . . . . 10.0 112.723 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -70.13 124.28 90.43 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.547 -0.168 . . . . 10.0 110.547 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.38 132.38 48.39 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.015 2.477 . . . . 10.0 111.896 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.29 -28.69 73.09 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.433 2.755 . . . . 10.0 112.992 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.63 -22.36 64.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.233 0.54 . . . . 10.0 110.716 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -105.13 6.56 33.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.636 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -97.29 107.64 20.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.695 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.626 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 74.7 ttt180 -107.76 96.79 6.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 177.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.687 ' HB3' HD12 ' B' ' 50' ' ' LEU . 35.2 mt -83.27 119.34 24.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.91 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.4 mm -114.77 131.15 67.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.961 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.664 ' HB3' HD21 ' B' ' 50' ' ' LEU . 83.8 t80 -149.88 136.96 19.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.927 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.64 31.27 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.695 0.622 . . . . 10.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.02 8.69 78.94 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.491 -0.777 . . . . 10.0 113.359 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -123.61 170.21 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.882 0.372 . . . . 10.0 111.026 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -98.16 132.44 43.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.082 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.687 HD12 ' HB3' ' B' ' 43' ' ' LEU . 60.2 mt -79.29 109.42 13.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.502 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -74.31 130.38 39.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.567 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 5.3 m-20 -52.19 -33.32 40.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.63 -10.28 85.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 10.0 113.744 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -96.0 165.52 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.987 0.393 . . . . 10.0 111.439 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 10.5 p -108.37 173.75 6.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.042 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.83 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 50.0 mt -64.67 -30.71 71.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 10.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -28.42 68.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.197 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -64.72 -26.71 68.48 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.659 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.04 10.45 24.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.661 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 60.12 37.57 20.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.183 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.589 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 61.2 mt -79.15 127.45 39.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.519 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -118.18 -169.99 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.468 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 9.3 pttp -74.42 157.12 36.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.289 -0.264 . . . . 10.0 110.289 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 68.82 11.87 8.47 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.856 0.687 . . . . 10.0 112.856 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.5 m -81.07 146.68 30.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.652 0.263 . . . . 10.0 110.657 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.41 116.85 32.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.156 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.5 mt -94.64 146.53 24.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.359 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -100.9 117.17 34.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.453 HD23 HG22 ' B' ' 7' ' ' THR . 40.6 tp -101.49 101.27 11.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.08 0.466 . . . . 10.0 111.408 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.626 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 43.1 t -91.93 122.26 43.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.492 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.36 113.61 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.969 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.299 179.718 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 6' ' ' VAL . . . . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.555 0.217 . . . . 10.0 111.408 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -58.34 -31.77 67.9 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.999 -179.239 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.8 ttm -55.87 -44.67 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.365 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -74.73 -37.13 62.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.246 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 2' ' ' ALA . 76.2 t -58.09 -47.14 87.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.777 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 3' ' ' SER . 48.1 t -62.79 -37.78 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.115 0.483 . . . . 10.0 110.107 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -64.65 -49.34 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.241 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.498 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.5 mt-10 -60.08 -35.53 75.39 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.052 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.3 tp -63.02 -50.1 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.395 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.43 -43.14 99.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.817 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -57.09 -46.58 82.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.355 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.9 mt -84.33 -16.78 41.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -39.68 23.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.893 0.378 . . . . 10.0 110.875 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -80.57 -27.95 37.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.689 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -134.67 77.66 57.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.842 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -87.9 148.54 7.02 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.928 2.419 . . . . 10.0 113.105 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.11 158.45 30.33 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.559 2.173 . . . . 10.0 110.468 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.72 -29.43 59.78 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.727 2.284 . . . . 10.0 112.893 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -82.6 1.34 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.525 HD22 HD13 ' A' ' 104' ' ' LEU . 12.2 tp -134.56 122.96 23.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.651 0.262 . . . . 10.0 110.699 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -131.26 154.08 48.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.894 0.378 . . . . 10.0 111.888 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.7 t30 59.72 38.71 21.61 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.341 -0.845 . . . . 10.0 112.629 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.5 tp -72.11 106.72 4.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.721 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -136.17 154.36 50.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 m -78.56 174.51 11.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.708 0.29 . . . . 10.0 110.408 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.565 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 21.4 t70 -71.57 158.18 36.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.3 -39.51 83.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.976 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.9 -6.54 9.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.538 0.94 . . . . 10.0 113.538 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.536 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 49.3 t30 -132.54 120.39 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.04 0.448 . . . . 10.0 111.978 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -75.55 -14.27 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.659 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.5 mt -83.04 5.28 22.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.217 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 93.0 t -125.98 125.64 68.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.558 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 45.6 m0 -111.67 145.83 38.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.995 0.426 . . . . 10.0 111.659 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -127.32 124.86 39.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.66 161.71 42.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.965 0.412 . . . . 10.0 111.66 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.96 120.98 43.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.978 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.2 tp -92.25 133.18 36.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.39 93.25 48.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.325 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.04 170.2 20.19 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.717 2.278 . . . . 10.0 110.446 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.67 ' HA ' ' HB3' ' A' ' 46' ' ' HIS . 35.8 t0 -122.11 -0.43 9.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.185 0.517 . . . . 10.0 111.687 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.51 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 4.9 tp-100 -81.32 120.32 78.03 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.51 ' HD2' ' OE1' ' A' ' 42' ' ' GLN . 35.7 Cg_exo -60.2 138.77 83.54 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.439 2.093 . . . . 10.0 111.163 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 94.2 Cg_endo -100.17 18.19 22.91 Favored 'Cis proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.949 -1.271 . . . . 10.0 112.4 -0.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -62.8 -22.38 66.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.667 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.67 ' HB3' ' HA ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -81.02 4.39 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 -179.581 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.1 mt -81.25 -29.57 34.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.811 0.339 . . . . 10.0 110.446 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.618 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 59.6 mmtt -135.27 -164.14 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.264 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.02 158.91 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.628 0.252 . . . . 10.0 110.485 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -125.91 126.18 43.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.072 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -84.1 135.17 34.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.115 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 pp -120.11 152.07 38.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.352 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.4 ttt-85 -122.35 112.9 18.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.972 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.658 HG23 HG12 ' A' ' 67' ' ' ILE . 37.8 mt -97.4 124.47 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.015 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 m -114.65 115.66 27.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.783 0.325 . . . . 10.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -92.9 130.91 34.81 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.07 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 90.6 Cg_endo -81.47 160.42 19.66 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.681 2.254 . . . . 10.0 111.738 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 -3.99 14.26 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.578 2.185 . . . . 10.0 111.145 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -101.66 14.29 32.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.801 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.523 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 17.1 t80 -69.65 143.84 93.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.859 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 91.5 Cg_endo -96.94 21.13 28.16 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.976 -1.26 . . . . 10.0 112.415 -0.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -70.88 -29.66 65.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.076 0.465 . . . . 10.0 109.914 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 5.0 mmmm -111.54 142.79 27.23 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.854 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.5 139.95 38.79 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.779 2.319 . . . . 10.0 112.895 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 66.3 Cg_endo -76.62 143.25 23.94 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.559 2.173 . . . . 10.0 110.972 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.8 mtm -96.31 122.27 39.0 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.98 0.419 . . . . 10.0 111.204 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.658 HG12 HG23 ' A' ' 54' ' ' ILE . 46.2 mt -112.45 131.14 64.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.876 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -130.7 156.82 44.29 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -92.27 127.14 37.64 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -23.7 31.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.0 m -98.38 143.66 28.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.069 -0.969 . . . . 10.0 109.943 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 142' ' ' PHE . 22.9 mmtt -78.26 115.84 18.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.976 0.417 . . . . 10.0 110.856 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.553 HG12 ' HB2' ' A' ' 75' ' ' HIS . 7.1 tt -119.03 127.8 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.517 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -79.6 69.28 5.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.467 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.553 ' HB2' HG12 ' A' ' 73' ' ' ILE . 7.0 t-80 -116.45 131.18 23.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.789 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.561 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 34.0 Cg_endo -64.84 -4.38 8.59 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.113 2.542 . . . . 10.0 113.789 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -118.07 14.67 14.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.501 0.667 . . . . 10.0 110.364 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 84' ' ' ILE . 88.2 t -130.73 138.22 54.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.588 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.89 157.41 26.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.525 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 3.4 pt-20 -58.8 -29.89 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.118 0.784 . . . . 10.0 113.118 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -78.47 -27.57 46.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.302 0.573 . . . . 10.0 110.2 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.4 13.11 6.45 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.719 -0.753 . . . . 10.0 112.619 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -84.58 142.98 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 10.0 110.376 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.527 HD12 HD13 ' A' ' 86' ' ' LEU . 14.7 pt -128.71 164.7 30.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.406 ' HB2' HD11 ' A' ' 120' ' ' LEU . 1.2 m -130.5 88.2 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.44 0.638 . . . . 99.99 111.088 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 110' ' ' LEU . 8.4 mp -95.29 124.52 53.32 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.379 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 40.1 Cg_exo -59.07 -28.64 88.39 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.973 2.449 . . . . 10.0 112.18 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.5 tt -67.03 -30.31 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 116.149 -0.478 . . . . 10.0 112.208 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.2 pt -117.64 27.23 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.129 0.49 . . . . 10.0 110.512 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 92' ' ' GLU . 80.9 p -74.94 157.46 34.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.791 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -80.08 32.79 0.27 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.28 0.562 . . . . 10.0 110.311 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 90' ' ' SER . 9.8 tm-20 -140.64 -56.73 0.52 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.611 -179.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.73 35.95 2.19 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -75.86 134.35 40.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 10.0 110.7 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.502 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 17.6 mtpp -121.25 110.25 34.5 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.367 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.15 -11.82 29.48 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.088 2.525 . . . . 10.0 112.413 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -80.89 -14.18 58.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.244 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -88.45 151.85 22.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.481 -179.823 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.498 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 60.8 mtpt -111.36 170.67 7.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 10.0 109.987 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.0 m -60.13 -27.84 67.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.215 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -49.06 75.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.798 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.434 ' HB2' HG22 ' A' ' 98' ' ' THR . 7.3 mp0 -70.7 -30.62 67.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.027 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.99 -47.79 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.854 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.525 HD13 HD22 ' A' ' 21' ' ' LEU . 73.8 mt -63.73 -33.64 76.09 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.178 0.513 . . . . 10.0 109.974 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 109' ' ' VAL . 19.1 tt0 -63.82 -49.24 73.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.47 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.77 97.41 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.37 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 tp -58.7 -47.41 84.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.983 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -58.81 -41.92 87.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.833 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 105' ' ' GLU . 95.0 t -63.44 -48.2 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.697 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 86' ' ' LEU . 62.1 mt -64.45 -29.15 70.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.734 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.444 ' HA ' ' CE1' ' A' ' 75' ' ' HIS . 54.9 t -75.14 -43.94 43.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 110.243 -0.28 . . . . 10.0 110.243 178.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.452 ' O ' ' HD3' ' A' ' 114' ' ' PRO . 37.7 m-80 -72.08 -37.78 69.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.099 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -108.57 96.75 20.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 112' ' ' ASN . 20.1 Cg_exo -66.32 108.93 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.873 2.382 . . . . 10.0 112.753 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -73.41 109.71 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.411 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 24.3 pt -89.18 -6.95 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.465 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 117' ' ' ARG . 43.9 mtp180 -75.81 -57.03 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -120.52 78.63 28.74 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.431 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -97.46 169.14 0.82 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.851 2.367 . . . . 10.0 112.702 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.2 mp -100.11 -14.11 18.71 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.558 ' HD3' HD22 ' A' ' 124' ' ' LEU . 7.1 mtp85 -129.29 95.19 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.283 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -61.33 -32.89 72.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -66.17 -48.3 71.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.507 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.558 HD22 ' HD3' ' A' ' 121' ' ' ARG . 8.1 mp -68.52 -37.53 80.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.189 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.96 79.83 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.281 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -65.79 -38.08 88.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.375 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.596 HD11 HD23 ' A' ' 134' ' ' LEU . 46.7 tp -59.91 -47.47 85.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.23 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 132' ' ' PRO . 58.4 tp -62.15 -38.14 87.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.009 0.433 . . . . 10.0 111.039 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.7 m -72.07 -19.08 61.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.444 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -94.9 -50.53 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.693 0.282 . . . . 10.0 111.165 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -144.83 102.79 4.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.125 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.468 ' HA ' HD12 ' A' ' 128' ' ' LEU . 26.9 Cg_exo -63.18 -36.65 56.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.977 2.451 . . . . 10.0 112.403 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.644 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 31.9 tp10 -68.87 -43.82 74.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.046 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.596 HD23 HD11 ' A' ' 127' ' ' LEU . 33.0 tp -60.02 -43.82 95.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.993 0.425 . . . . 10.0 110.32 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.561 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 87.0 t80 -66.06 -41.66 90.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.812 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -60.18 -40.7 90.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.525 -0.762 . . . . 10.0 110.958 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.644 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 66.3 mttm -60.84 -47.52 85.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.129 0.49 . . . . 10.0 110.402 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -62.59 -45.64 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.796 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.326 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.57 -48.76 80.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.069 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -60.18 -44.13 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.706 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.439 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 4.3 t80 -65.52 -45.05 85.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.27 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.412 HG22 ' HB2' ' A' ' 48' ' ' LYS . 26.2 m -64.04 -38.16 90.05 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.8 -5.32 57.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -114.64 -42.9 3.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.427 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 96.6 m-85 -107.71 6.35 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -100.59 151.89 19.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 10.0 112.776 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 20.1 t -76.52 152.39 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.618 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 28.3 t0 -56.83 156.03 7.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.35 . . . . 10.0 111.849 -179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.457 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 13.3 tpt180 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.912 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 24.0 ptt? . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 121.116 0.484 . . . . 10.0 110.734 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -85.79 129.04 34.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.551 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -125.51 169.48 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.37 123.05 42.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.883 0.373 . . . . 10.0 110.976 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.77 107.97 24.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -101.64 129.15 47.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.08 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -97.92 170.1 9.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.348 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.777 HD11 HG13 ' B' ' 70' ' ' VAL . 90.9 mt -66.62 -17.31 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.531 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.78 4.08 50.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.14 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.53 11.31 85.42 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.915 -0.66 . . . . 10.0 112.556 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -86.04 82.9 7.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 10.0 110.05 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -79.24 113.96 17.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.159 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 pt -111.33 151.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.977 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.5 142.76 27.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.189 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 tp -138.54 140.32 39.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.781 0.324 . . . . 10.0 110.641 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.1 105.82 16.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.692 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.3 m -131.49 167.85 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.743 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 57.5 mm-40 -112.85 158.61 37.2 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -58.8 -23.31 66.26 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.196 1.931 . . . . 10.0 111.718 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.22 8.7 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.348 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.607 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -80.61 131.58 35.52 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.738 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.51 149.68 25.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -55.66 -40.91 62.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.678 0.275 . . . . 10.0 111.336 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -61.1 -36.03 78.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.1 0.476 . . . . 10.0 110.626 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.7 -39.31 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.68 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.45 -40.39 86.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.683 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -59.42 -42.13 91.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.818 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.91 85.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.285 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -66.4 -38.1 86.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.688 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.15 -37.65 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.265 -0.642 . . . . 10.0 109.265 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -66.79 -37.15 84.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.756 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.67 -35.95 81.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.305 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.42 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 31.9 mtpt -86.54 -63.6 1.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.742 0.645 . . . . 10.0 112.742 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.33 -47.32 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.815 0.672 . . . . 10.0 112.815 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.15 13.32 19.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.548 -0.834 . . . . 10.0 112.421 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -77.32 125.47 86.33 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 66.4 Cg_exo -53.27 134.32 56.32 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.92 2.414 . . . . 10.0 111.668 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.9 Cg_exo -55.71 -30.42 75.61 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.434 2.756 . . . . 10.0 113.613 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.39 -25.71 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -93.11 4.05 54.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.317 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -91.05 104.06 16.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.14 0.495 . . . . 10.0 111.648 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.485 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 47.1 ttt180 -105.48 90.32 3.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.419 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.57 ' HB3' HD12 ' B' ' 50' ' ' LEU . 36.8 mt -84.73 120.54 26.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.09 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -119.31 130.47 73.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.208 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.488 ' HB3' HD21 ' B' ' 50' ' ' LEU . 84.2 t80 -139.8 127.05 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.47 33.64 23.55 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.63 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.2 7.4 84.63 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.818 -0.628 . . . . 10.0 113.118 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm -118.05 142.56 47.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -85.41 132.78 34.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.051 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' B' ' 43' ' ' LEU . 37.3 mt -80.75 109.71 15.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.431 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.27 135.92 40.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.753 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.08 -44.33 41.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.093 0.775 . . . . 10.0 113.093 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.39 35.73 3.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 10.0 114.064 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' B' ' 54' ' ' ARG . 5.3 mmp_? -129.08 160.81 31.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.827 0.314 . . . . 10.0 110.416 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.45 159.84 15.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.204 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 78.6 mt -60.6 -29.53 69.26 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.095 0.474 . . . . 10.0 111.089 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -28.69 69.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.412 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.57 -38.09 89.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.446 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.405 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.9 m-85 -96.89 6.78 48.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.249 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 60.37 35.63 20.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.245 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 73.1 mt -75.24 116.58 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.262 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -105.4 -165.6 1.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.353 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.426 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 0.0 OUTLIER -76.56 153.78 35.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.728 0.299 . . . . 10.0 110.917 179.294 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.16 16.3 10.39 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.802 0.667 . . . . 10.0 112.802 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.6 m -76.53 142.2 40.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.375 -0.231 . . . . 10.0 110.375 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.23 104.62 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.188 0.518 . . . . 10.0 111.252 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 78.4 mt -87.27 139.81 30.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.905 -0.588 . . . . 10.0 109.643 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -100.76 108.54 20.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 44.4 tp -93.57 100.85 13.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.392 0.615 . . . . 10.0 111.264 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.777 HG13 HD11 ' B' ' 8' ' ' LEU . 41.5 t -91.58 134.38 30.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.54 -0.911 . . . . 10.0 108.54 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.6 mp -99.64 132.74 44.78 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 121.003 -0.279 . . . . 10.0 110.66 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.002 179.045 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.667 0.27 . . . . 10.0 111.224 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.95 -23.45 65.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.234 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.8 mmm -53.19 -48.6 67.92 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.485 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 5.6 ttp180 -66.05 -40.16 90.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.773 0.32 . . . . 10.0 110.254 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.24 -43.86 86.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.017 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.5 t -63.79 -41.09 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.969 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -64.3 -48.52 75.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.757 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.656 ' HG2' ' HE2' ' A' ' 99' ' ' LYS . 47.4 mt-10 -58.21 -41.95 85.15 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.636 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.4 tp -67.09 -46.27 74.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.237 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.79 -37.39 76.22 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.412 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -72.67 -46.27 54.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.059 0.457 . . . . 10.0 110.817 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' A' ' 101' ' ' CYS . 39.5 mt -67.84 -28.86 67.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 25' ' ' SER . 81.0 mt-30 -77.58 -6.16 52.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.008 0.373 . . . . 10.0 112.008 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -102.35 -34.59 9.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 10.0 110.74 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 65.7 mmtt -135.62 71.18 65.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.217 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 96.9 Cg_endo -79.23 141.06 15.96 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.424 2.083 . . . . 10.0 112.401 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 37.8 Cg_exo -62.92 154.33 67.34 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.945 2.43 . . . . 10.0 111.139 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.25 -11.39 25.13 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.838 2.359 . . . . 10.0 113.215 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -108.48 7.96 27.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.77 0.285 . . . . 10.0 111.77 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.9 tp -135.5 105.5 6.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.904 0.383 . . . . 10.0 110.652 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.67 164.32 20.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.395 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.7 37.79 18.81 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.529 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 48.2 tp -84.86 116.1 23.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.035 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.426 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 41.3 m -153.69 166.38 33.0 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.475 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.41 162.39 25.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.622 0.249 . . . . 10.0 110.399 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.34 149.91 47.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.087 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -55.71 -29.44 59.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.641 0.608 . . . . 10.0 112.641 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.0 30.34 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.93 0.344 . . . . 10.0 111.93 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -162.04 120.68 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.053 0.454 . . . . 10.0 111.838 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -83.91 -14.13 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.32 0.581 . . . . 10.0 110.617 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.1 mt -91.53 6.75 44.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.966 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.23 118.75 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.101 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.64 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 40.5 m0 -98.75 143.66 28.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.978 0.418 . . . . 10.0 111.392 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.455 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 21.3 m-70 -121.96 125.96 47.52 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.423 -0.955 . . . . 10.0 108.423 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.15 158.93 41.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.911 0.386 . . . . 10.0 111.666 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.5 mt -110.63 117.81 34.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.509 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 25.5 tp -86.31 132.0 34.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.016 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mp -113.6 88.08 12.96 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 14.7 Cg_exo -70.26 145.95 55.73 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.282 1.988 . . . . 10.0 110.456 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -96.41 -25.39 15.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.108 0.48 . . . . 10.0 110.549 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.502 ' HG3' ' HD2' ' A' ' 43' ' ' PRO . 3.0 tp-100 -61.89 138.22 95.52 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.441 -0.799 . . . . 10.0 111.274 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HD2' ' HG3' ' A' ' 42' ' ' GLN . 70.0 Cg_endo -76.67 142.29 22.83 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.621 2.214 . . . . 10.0 111.378 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 91.2 Cg_endo -100.07 20.92 21.54 Favored 'Cis proline' 0 N--CA 1.457 -0.65 0 C-N-CA 123.951 -1.27 . . . . 10.0 111.758 -0.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -66.13 -13.6 60.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.969 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.445 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 25.4 p80 -78.16 -3.72 43.93 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.23 -25.08 34.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.903 0.382 . . . . 10.0 111.426 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HB2' HG22 ' A' ' 143' ' ' THR . 71.9 mmtt -136.38 -170.66 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.677 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.98 156.55 43.61 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -123.88 126.49 46.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.774 0.321 . . . . 10.0 110.66 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -83.66 134.48 34.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.501 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.01 146.59 47.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.683 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 53' ' ' ARG . 22.7 ttt-85 -116.77 114.8 24.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.645 HG23 HG12 ' A' ' 67' ' ' ILE . 38.3 mt -96.36 118.4 42.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.37 112.22 25.18 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.037 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.45 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 65.5 m-85 -87.64 128.47 54.45 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.655 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 6.5 Cg_exo -75.37 152.36 39.0 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.69 2.26 . . . . 10.0 110.851 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.23 -15.33 48.92 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.507 2.138 . . . . 10.0 112.561 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -99.95 24.12 8.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.628 -0.26 . . . . 10.0 111.574 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.44 ' HE1' ' HD3' ' A' ' 65' ' ' PRO . 10.7 t80 -63.49 142.92 97.94 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 178.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.404 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . 67.8 Cg_endo -97.34 20.27 28.39 Favored 'Cis proline' 0 N--CA 1.459 -0.534 0 C-N-CA 124.151 -1.187 . . . . 10.0 112.808 0.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -70.27 -29.27 65.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.291 0.567 . . . . 10.0 109.573 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -107.13 133.46 20.3 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.362 -0.835 . . . . 10.0 109.641 178.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 41.0 Cg_endo -67.93 139.85 48.55 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.825 2.35 . . . . 10.0 113.113 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.494 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 55.0 Cg_endo -71.7 124.82 10.55 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.756 2.304 . . . . 10.0 111.422 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 36.0 mtm -81.77 112.75 19.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.545 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 54' ' ' ILE . 53.8 mt -104.12 131.66 52.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.727 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -135.81 160.85 37.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.27 134.22 34.76 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.711 -0.395 . . . . 10.0 110.672 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -81.26 -39.89 24.59 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.06 -164.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.893 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 146' ' ' PHE . 26.7 mmtm -121.16 118.84 30.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.777 0.322 . . . . 10.0 110.744 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.455 HG12 ' HB2' ' A' ' 75' ' ' HIS . 6.6 tt -116.71 122.33 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.121 -0.491 . . . . 10.0 111.442 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -80.22 74.69 7.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.117 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' HB2' HG12 ' A' ' 73' ' ' ILE . 7.9 t-80 -126.08 137.55 30.39 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.063 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 27.6 Cg_endo -62.78 -6.07 8.51 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.01 2.473 . . . . 10.0 113.775 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.623 HD21 ' HB3' ' A' ' 115' ' ' ASN . 18.8 m120 -110.52 10.99 23.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.046 0.451 . . . . 10.0 111.087 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -130.68 145.11 36.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -86.09 172.53 10.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.574 0.226 . . . . 10.0 111.316 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.35 -25.12 67.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.594 0.591 . . . . 10.0 112.594 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.442 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 4.2 m120 -84.49 -48.74 9.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.149 0.5 . . . . 10.0 110.298 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.79 20.55 0.32 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.238 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.74 154.65 20.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.794 0.33 . . . . 10.0 110.519 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 86' ' ' LEU . 13.4 pt -137.37 164.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.766 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 0.5 OUTLIER -124.03 87.42 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.801 -0.636 . . . . 99.99 110.104 179.026 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.666 HD13 HD12 ' A' ' 84' ' ' ILE . 4.7 mp -104.0 111.11 65.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.558 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.84 -30.93 78.96 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 123.091 2.527 . . . . 10.0 112.593 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 103' ' ' VAL . 15.8 tt -61.62 -27.67 42.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 pt -127.94 39.29 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.073 0.463 . . . . 10.0 110.645 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.5 p -102.13 170.67 7.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.559 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -83.76 0.58 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.703 0.764 . . . . 10.0 109.612 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -101.92 -17.68 16.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.038 -0.983 . . . . 10.0 109.525 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -160.83 122.69 3.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.506 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -166.3 140.8 4.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.595 -0.275 . . . . 10.0 110.601 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 0.0 OUTLIER -129.78 121.4 19.99 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.098 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 31.6 Cg_exo -60.99 -20.19 66.36 Favored 'Trans proline' 0 N--CA 1.475 0.436 0 C-N-CA 122.991 2.461 . . . . 10.0 112.525 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -75.65 -17.28 60.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.165 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.6 m -78.89 133.37 36.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.656 ' HE2' ' HG2' ' A' ' 9' ' ' GLU . 30.7 mtpt -95.85 161.98 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.562 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -60.3 -29.05 68.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.414 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -60.51 -37.22 80.44 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.943 0.401 . . . . 10.0 110.843 179.365 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -71.08 -37.43 72.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.143 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.494 ' HA ' HD13 ' A' ' 88' ' ' ILE . 29.2 t -65.61 -41.25 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.146 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.578 HD21 HD11 ' A' ' 54' ' ' ILE . 65.5 mt -60.72 -38.12 84.01 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.699 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 109' ' ' VAL . 40.2 tt0 -64.5 -48.84 73.65 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.87 -0.604 . . . . 10.0 109.854 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.54 -42.23 87.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.507 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.25 -49.32 77.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.221 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.99 -41.93 84.08 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.139 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 105' ' ' GLU . 71.9 t -62.73 -44.39 99.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.895 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.2 mt -69.95 -29.22 66.29 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.04 -39.08 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.099 0.476 . . . . 10.0 109.884 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -77.15 -50.19 13.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.546 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -103.14 106.38 50.75 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.459 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.66 147.25 63.09 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.849 2.366 . . . . 10.0 112.383 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.623 ' HB3' HD21 ' A' ' 77' ' ' ASN . 48.8 t30 -105.46 106.34 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.793 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.3 pt -83.23 -2.91 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.761 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 32.8 mtp-105 -84.75 -54.73 4.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -126.62 81.29 68.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.819 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -96.47 175.75 0.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.954 2.436 . . . . 10.0 112.051 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.5 mp -105.59 -9.67 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.385 0.612 . . . . 10.0 109.469 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.597 ' HD3' HD22 ' A' ' 124' ' ' LEU . 11.6 mtp180 -135.82 96.65 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.335 -0.848 . . . . 10.0 110.227 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -60.87 -32.1 71.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -66.01 -47.24 75.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.298 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.597 HD22 ' HD3' ' A' ' 121' ' ' ARG . 4.8 mp -71.16 -37.73 72.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.077 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.85 90.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.198 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.38 -44.52 96.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.312 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.54 HD11 HD23 ' A' ' 134' ' ' LEU . 57.8 tp -60.99 -44.24 97.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.225 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.72 -36.15 82.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.445 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.4 m -87.29 14.04 8.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.279 0.562 . . . . 10.0 111.492 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -129.1 -49.2 1.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.179 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.42 ' HA ' ' HD2' ' A' ' 132' ' ' PRO . 38.7 t-20 -144.7 95.23 5.36 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.978 0.418 . . . . 10.0 110.431 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 131' ' ' ASN . 25.3 Cg_endo -63.18 -32.11 74.37 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.967 2.445 . . . . 10.0 112.521 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.479 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 21.1 tp10 -67.84 -48.09 67.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.794 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.54 HD23 HD11 ' A' ' 127' ' ' LEU . 29.0 tp -61.92 -41.97 98.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 10.0 110.192 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.472 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 84.0 t80 -63.92 -41.37 97.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.859 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -60.48 -42.89 97.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.831 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.479 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 64.6 mttm -58.36 -51.1 71.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.104 0.478 . . . . 10.0 110.958 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -43.04 99.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.253 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.01 82.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.425 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -61.83 -54.29 44.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.849 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 2.0 tt0 -58.35 -39.85 80.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.559 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -65.94 -43.98 86.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.27 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 48' ' ' LYS . 44.0 m -62.04 -39.71 93.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.044 0.449 . . . . 10.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 35.8 mt -87.2 12.09 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 29.5 ttt180 -120.37 -52.72 2.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.251 -0.432 . . . . 10.0 111.206 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.4 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 96.4 m-85 -115.46 36.63 3.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.327 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -126.09 158.24 20.24 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 22.9 t -81.72 148.32 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -63.45 145.82 54.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.754 0.312 . . . . 10.0 111.252 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.445 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 14.5 tpt180 -67.21 117.38 45.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.935 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 150' ' ' ARG . 25.1 Cg_exo . . . . . 0 C--O 1.248 0.987 0 C-N-CA 123.153 2.569 . . . . 10.0 111.799 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.7 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.964 0.411 . . . . 10.0 110.811 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -89.69 120.38 30.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.471 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -113.38 172.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.2 m-85 -120.56 120.3 35.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.703 0.287 . . . . 10.0 110.883 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.6 t -106.35 110.47 31.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.455 ' HE3' ' HA2' ' B' ' 10' ' ' GLY . 72.9 tttt -105.65 126.27 51.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.002 0.43 . . . . 10.0 111.45 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.412 HG22 HD23 ' B' ' 69' ' ' LEU . 21.2 p -87.2 170.34 11.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.611 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.597 HD11 HG13 ' B' ' 70' ' ' VAL . 38.9 mt -69.18 -9.16 51.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.013 0.435 . . . . 10.0 110.865 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.89 3.18 55.76 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.678 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.455 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . 88.9 -23.39 17.51 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.348 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -60.27 114.27 2.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.933 0.397 . . . . 10.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -111.41 125.67 54.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.151 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 30.3 pt -114.6 155.77 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.007 0.432 . . . . 10.0 111.269 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.78 131.77 40.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.373 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' B' ' 29' ' ' LYS . 12.5 tp -128.48 133.68 48.54 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.822 -0.351 . . . . 10.0 111.241 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.81 109.92 22.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.501 . . . . 10.0 110.252 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.3 m -137.82 153.6 27.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.581 -0.736 . . . . 10.0 109.952 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 48.1 mm-40 -99.96 161.92 22.71 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.21 -30.34 70.98 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.144 1.896 . . . . 10.0 112.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.65 5.19 37.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.569 . . . . 10.0 112.354 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.508 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.5 OUTLIER -72.96 129.35 37.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.605 0.24 . . . . 10.0 110.647 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.414 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -79.31 147.88 32.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.054 179.222 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.437 HG12 ' O ' ' B' ' 54' ' ' ARG . 39.6 mm -58.19 -40.37 77.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.593 -0.276 . . . . 10.0 111.544 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -40.79 86.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.382 0.611 . . . . 10.0 109.979 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -34.56 76.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.548 -0.751 . . . . 10.0 109.861 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 22' ' ' THR . 61.6 t -62.66 -42.55 96.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.26 -41.19 88.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.22 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.22 96.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.166 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.516 ' HB3' HD11 ' B' ' 15' ' ' LEU . 92.7 mttt -64.73 -36.01 82.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.782 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.23 -44.58 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.911 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -66.56 -31.17 71.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.016 0.436 . . . . 10.0 110.392 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.53 -37.73 79.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.903 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.443 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 12.5 ptpt -99.87 -42.63 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -85.86 -60.34 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.61 0.243 . . . . 10.0 111.359 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.64 -4.71 11.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.602 -0.809 . . . . 10.0 112.633 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.15 122.46 82.87 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.469 0.176 . . . . 10.0 110.825 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 45.7 Cg_exo -57.8 135.89 71.98 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.119 2.546 . . . . 10.0 112.137 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 52.9 Cg_exo -57.8 -27.61 78.82 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.35 2.7 . . . . 10.0 112.641 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.81 -27.6 68.38 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.13 0.491 . . . . 10.0 110.755 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.409 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 11.0 mt-30 -102.69 7.16 39.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.636 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -95.61 104.07 15.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.049 0.389 . . . . 10.0 112.049 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -109.74 96.28 6.15 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.521 ' HB3' HD12 ' B' ' 50' ' ' LEU . 38.8 mt -82.89 119.02 23.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.809 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.9 mm -110.84 127.76 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.811 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.531 ' HB3' HD21 ' B' ' 50' ' ' LEU . 53.7 t80 -130.36 117.0 19.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.178 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.63 28.35 15.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.962 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.06 -11.0 73.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.831 -0.699 . . . . 10.0 113.259 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -100.09 145.45 27.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.785 0.293 . . . . 10.0 110.256 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -87.98 131.09 34.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.76 -0.459 . . . . 10.0 109.76 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' B' ' 45' ' ' PHE . 59.8 mt -77.22 113.44 14.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.247 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.69 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 1.2 tt0 -73.63 135.69 43.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.751 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.06 -40.52 45.44 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.222 0.823 . . . . 10.0 113.222 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.97 5.19 80.53 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.829 -0.7 . . . . 10.0 114.508 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.69 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 3.6 mmp_? -98.04 163.22 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.369 0.584 . . . . 10.0 110.14 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.0 p -114.35 179.96 3.8 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.404 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 46.5 mt -73.4 -18.99 61.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.928 0.394 . . . . 10.0 110.971 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.6 m -75.45 -29.89 59.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.313 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.429 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 2.4 m-20 -58.43 -54.07 51.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.992 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -87.21 4.83 40.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.986 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 58.88 60.24 2.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.552 0.691 . . . . 10.0 110.281 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 65.8 mt -94.91 121.6 45.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.452 -0.795 . . . . 10.0 110.46 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -96.07 -174.44 3.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.821 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 17.6 pttp -76.48 155.92 33.44 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.842 -0.343 . . . . 10.0 111.014 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.13 9.05 6.95 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -66.06 129.52 40.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.868 0.366 . . . . 10.0 110.398 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.6 m -94.09 111.79 23.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.86 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 29.6 mt -95.71 149.31 21.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.764 -0.653 . . . . 10.0 109.669 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -104.91 117.2 33.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.412 HD23 HG22 ' B' ' 7' ' ' THR . 55.4 tp -97.64 111.04 23.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.158 0.504 . . . . 10.0 112.02 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.597 HG13 HD11 ' B' ' 8' ' ' LEU . 47.4 t -98.72 129.23 49.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -90.03 127.98 36.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.348 0.594 . . . . 10.0 112.024 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.409 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 10.9 ttp180 -99.57 92.9 5.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.802 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mp -78.43 116.14 18.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.03 0.443 . . . . 10.0 111.11 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -100.4 77.29 1.93 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.088 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.33 35.34 0.55 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.719 -0.753 . . . . 10.0 112.442 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 4.1 m . . . . . 0 C--O 1.253 1.273 0 CA-C-O 117.844 -1.074 . . . . 99.99 109.805 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.411 0.148 . . . . 10.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 7' ' ' VAL . 1.5 m -66.52 -20.9 66.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.217 0.821 . . . . 10.0 113.217 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -52.15 -55.92 17.87 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.621 0.601 . . . . 10.0 112.621 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -64.02 -35.58 81.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.734 0.302 . . . . 10.0 111.003 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.5 t -59.59 -45.87 93.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.041 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 3' ' ' SER . 57.9 t -64.64 -38.14 81.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.215 0.531 . . . . 10.0 110.107 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 17.1 tptp -69.29 -41.09 77.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.316 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.05 -38.75 82.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.118 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.7 tp -60.77 -52.04 66.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.622 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 26.8 tt0 -60.78 -37.47 81.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.482 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -52.08 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.09 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.023 HD21 ' HB3' ' A' ' 101' ' ' CYS . 41.7 mt -72.59 -23.92 61.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.438 -0.801 . . . . 10.0 112.892 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -74.19 -17.59 60.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 10.0 111.234 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 94.1 mttt -92.76 -38.79 11.6 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -122.89 74.98 47.89 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.238 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.57 137.0 7.71 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.793 2.328 . . . . 10.0 111.879 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 33.1 Cg_endo -68.03 145.78 68.68 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.39 2.06 . . . . 10.0 110.586 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.9 Cg_exo -56.34 -21.07 35.04 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 123.028 2.485 . . . . 10.0 114.07 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -97.09 7.19 47.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.857 0.688 . . . . 10.0 112.857 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 14.9 tp -132.48 117.05 17.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.798 0.333 . . . . 10.0 110.792 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.477 ' HG2' HD13 ' A' ' 39' ' ' LEU . 16.2 mmt85 -124.0 166.0 16.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.41 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 58.43 29.8 18.76 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.643 0.608 . . . . 10.0 112.643 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.1 tp -68.87 101.22 1.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.31 0.576 . . . . 10.0 111.044 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.47 173.9 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.375 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -169.62 2.69 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 178.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.825 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 23.8 t70 -85.51 161.8 19.2 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.25 -0.648 . . . . 10.0 109.25 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.97 -37.72 80.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.817 0.341 . . . . 10.0 111.131 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.48 39.33 2.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.218 -0.447 . . . . 10.0 111.235 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 14.9 t-20 -162.73 139.6 7.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 10.0 110.978 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.5 p -98.85 -10.78 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.152 0.501 . . . . 10.0 110.52 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -94.37 15.04 18.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.163 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.825 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 62.1 t -134.52 123.62 42.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.762 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 42.1 m0 -105.7 140.88 38.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.023 0.439 . . . . 10.0 111.261 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -118.46 123.36 44.99 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.003 -1.11 . . . . 10.0 108.003 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.26 161.53 42.48 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.515 -0.474 . . . . 10.0 112.233 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.6 mt -113.81 123.03 48.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.444 -0.798 . . . . 10.0 109.799 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.8 tp -91.7 131.42 37.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.907 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.477 HD13 ' HG2' ' A' ' 22' ' ' ARG . 10.4 mp -117.32 88.61 28.57 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.574 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.93 158.05 53.51 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.668 2.245 . . . . 10.0 111.582 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -99.41 -33.55 10.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.864 0.364 . . . . 10.0 110.82 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 5.4 tp-100 -56.98 121.1 43.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.417 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 21.2 Cg_exo -67.97 147.4 74.03 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.623 2.216 . . . . 10.0 110.774 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -95.96 18.83 33.31 Favored 'Cis proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.972 -1.262 . . . . 10.0 112.222 -0.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -62.69 -24.22 67.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.981 0.419 . . . . 10.0 111.415 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.558 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 0.7 OUTLIER -75.32 -0.26 19.1 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.906 0.706 . . . . 10.0 112.906 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -75.77 -29.61 58.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.76 0.314 . . . . 10.0 110.666 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.632 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 54.4 mmtt -140.99 -163.41 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.75 161.29 31.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.674 0.273 . . . . 10.0 110.373 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -126.51 134.13 50.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.192 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -91.1 136.13 33.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.782 0.325 . . . . 10.0 110.795 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.08 154.96 35.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.597 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -124.35 110.4 14.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.736 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.762 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 44.4 mt -93.97 117.72 38.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.489 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.52 114.56 28.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.439 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -89.2 130.82 42.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.215 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.611 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 72.0 Cg_endo -76.35 154.86 36.57 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.462 2.108 . . . . 10.0 111.229 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.4 -19.66 55.25 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.323 2.015 . . . . 10.0 111.855 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.595 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.1 mp0 -97.19 16.9 18.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.655 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 61' ' ' PRO . 35.3 t80 -62.01 140.19 95.83 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 60' ' ' TYR . 66.3 Cg_endo -98.73 25.64 18.95 Favored 'Cis proline' 0 C--N 1.35 0.623 0 C-N-CA 124.232 -1.153 . . . . 10.0 113.358 0.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -75.22 -25.5 58.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.484 0.659 . . . . 10.0 109.283 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.786 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -112.42 137.09 21.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.013 -0.994 . . . . 10.0 108.757 178.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.786 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 33.9 Cg_endo -65.76 137.64 50.41 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.724 2.282 . . . . 10.0 112.676 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.611 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 60.3 Cg_endo -73.77 151.49 46.17 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.519 2.146 . . . . 10.0 111.181 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 30.2 mtm -102.34 112.53 25.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.739 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.739 HG12 HG23 ' A' ' 54' ' ' ILE . 60.2 mt -113.3 122.88 68.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.013 0.435 . . . . 10.0 110.489 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 3.6 ptmm? -137.34 163.26 31.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.002 -0.544 . . . . 10.0 109.716 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -89.11 134.8 33.87 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.5 -33.8 31.68 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.33 178.85 5.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.107 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 146' ' ' PHE . 75.5 mmtt -97.66 128.49 44.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.788 0.327 . . . . 10.0 110.681 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.6 tt -128.19 129.68 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.234 0.54 . . . . 10.0 111.552 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -84.68 81.51 8.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.399 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -132.86 134.87 25.06 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.657 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.632 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 39.7 Cg_endo -66.59 -4.5 11.04 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.939 2.426 . . . . 10.0 113.762 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -116.44 17.85 15.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.058 0.456 . . . . 10.0 110.528 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.4 t -139.01 142.92 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -87.04 172.32 10.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.61 0.243 . . . . 10.0 111.187 179.7 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.28 -29.22 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.579 0.585 . . . . 10.0 112.579 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' OD1' ' HE3' ' A' ' 68' ' ' LYS . 23.6 t-20 -76.44 -33.87 58.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.201 0.524 . . . . 10.0 110.03 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.35 19.79 3.78 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.582 -0.736 . . . . 10.0 111.839 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -82.23 137.18 34.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.833 0.349 . . . . 10.0 110.517 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -127.29 140.59 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.587 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.681 ' HB2' HD11 ' A' ' 120' ' ' LEU . 62.8 m -104.04 108.66 20.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.975 0.417 . . . . 99.99 109.988 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.4 HD13 HD11 ' A' ' 89' ' ' ILE . 5.0 mp -116.77 120.53 34.08 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.806 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.21 -31.72 94.12 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.987 2.458 . . . . 10.0 111.954 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.654 HD11 HG21 ' A' ' 98' ' ' THR . 10.0 tp -62.78 -33.99 63.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.672 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.4 HD11 HD13 ' A' ' 86' ' ' LEU . 18.3 pt -113.27 29.58 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.251 0.548 . . . . 10.0 110.76 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.9 p -86.56 155.88 20.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.846 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.91 -7.39 45.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.087 0.47 . . . . 10.0 110.775 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -101.24 -28.71 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -128.84 25.53 5.62 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.978 1.103 . . . . 10.0 113.978 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -75.29 123.98 26.29 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.405 -0.518 . . . . 10.0 111.503 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.441 ' HB2' ' HG1' ' A' ' 98' ' ' THR . 41.2 mtpt -113.77 117.27 44.61 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -58.92 -21.85 59.91 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 123.117 2.544 . . . . 10.0 113.292 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -9.01 58.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.798 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.654 HG21 HD11 ' A' ' 88' ' ' ILE . 1.3 m -84.2 134.13 34.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.438 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -92.63 160.17 15.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.782 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -60.35 -30.85 69.8 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.216 0.45 . . . . 10.0 112.216 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 1.023 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -60.77 -37.41 81.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.36 . . . . 10.0 110.95 179.656 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -69.17 -36.05 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.17 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.76 -42.33 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.437 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.418 HD21 HD11 ' A' ' 54' ' ' ILE . 62.4 mt -64.87 -35.28 80.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.646 -0.707 . . . . 10.0 110.175 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 109' ' ' VAL . 23.4 tt0 -63.9 -46.89 82.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.091 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.08 96.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.614 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.6 -47.38 84.52 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.516 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.93 -41.29 82.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.418 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 105' ' ' GLU . 83.2 t -63.04 -45.12 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.805 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.0 -31.73 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.835 0.309 . . . . 10.0 111.835 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.65 -44.5 52.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.037 0.446 . . . . 10.0 110.976 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.425 ' O ' ' HD3' ' A' ' 114' ' ' PRO . 46.9 m-80 -75.93 -33.55 59.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.322 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -113.1 92.19 20.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.003 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 112' ' ' ASN . 16.5 Cg_exo -67.88 106.09 1.25 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.433 2.089 . . . . 10.0 111.485 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -65.76 111.12 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.235 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.0 pt -84.19 -14.47 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.849 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.3 mtp-105 -76.57 -48.42 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.962 0.41 . . . . 10.0 110.84 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -127.74 79.73 73.11 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.036 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -95.08 175.82 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.828 2.352 . . . . 10.0 111.393 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.9 mp -103.36 -20.98 13.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.449 0.642 . . . . 10.0 109.485 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.452 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 47.3 mtp180 -132.15 97.68 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.238 -0.892 . . . . 10.0 110.025 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.411 ' SD ' HD22 ' B' ' 71' ' ' LEU . 4.8 mpp? -64.82 -25.23 67.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.539 ' HB3' ' HB ' ' B' ' 9' ' ' THR . 20.1 p-10 -68.51 -37.64 80.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 10.0 111.098 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.537 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 2.3 mp -81.76 -35.51 29.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.584 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.3 86.12 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.046 -0.524 . . . . 10.0 109.846 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -60.16 -44.49 94.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.305 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.437 HD11 HD23 ' A' ' 134' ' ' LEU . 12.0 tp -61.6 -47.13 86.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.324 -0.853 . . . . 10.0 111.133 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.1 tp -63.8 -32.43 73.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.999 0.428 . . . . 10.0 111.729 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.7 m -78.01 -33.83 51.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.981 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -80.95 -54.86 5.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.497 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -139.83 101.92 7.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.991 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -62.93 -36.93 57.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.821 2.347 . . . . 10.0 112.348 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.561 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 20.3 tp10 -64.75 -42.99 94.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.835 0.35 . . . . 10.0 110.883 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.437 HD23 HD11 ' A' ' 127' ' ' LEU . 33.1 tp -59.41 -42.22 91.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.865 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.632 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 60.8 t80 -68.24 -40.58 81.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.603 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -57.3 -43.03 82.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.323 -0.853 . . . . 10.0 111.195 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.561 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 62.6 mttm -63.82 -50.76 67.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.998 0.428 . . . . 10.0 111.204 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.02 -44.69 97.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.323 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.8 88.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.341 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -58.53 -54.46 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.057 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -58.72 -43.71 90.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.826 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.61 -43.36 97.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.392 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.463 HG22 ' HB2' ' A' ' 48' ' ' LYS . 19.2 m -67.03 -37.58 84.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.248 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 91.0 mt -88.58 15.13 8.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.56 -0.291 . . . . 10.0 111.69 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -132.7 -45.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 83.1 m-85 -112.28 18.92 18.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.856 0.36 . . . . 10.0 111.169 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -108.54 163.65 12.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.694 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.532 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 35.9 t -91.44 150.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.632 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 2.9 t0 -64.21 144.91 56.78 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.694 -0.402 . . . . 10.0 111.3 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.558 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 1.8 ttt180 -83.11 116.77 66.06 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.977 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo . . . . . 0 C--O 1.252 1.204 0 C-N-CA 123.253 2.635 . . . . 10.0 112.277 -179.576 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.831 0.348 . . . . 10.0 110.688 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -88.42 126.69 35.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.545 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.4 pt -126.25 164.72 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.584 -0.525 . . . . 10.0 109.584 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -121.22 125.13 46.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.747 0.308 . . . . 10.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.485 ' HB ' HG13 ' B' ' 13' ' ' ILE . 21.8 t -106.98 107.18 22.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -100.23 128.24 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.414 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.536 HG22 HD23 ' B' ' 69' ' ' LEU . 40.0 p -89.11 -179.93 6.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.176 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.652 HD11 HG13 ' B' ' 70' ' ' VAL . 86.9 mt -82.82 -1.98 53.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.051 0.453 . . . . 10.0 110.753 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.539 ' HB ' ' HB3' ' A' ' 123' ' ' ASP . 0.8 OUTLIER -105.81 11.21 32.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.003 0.43 . . . . 10.0 111.402 -179.547 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.71 -26.8 7.0 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.939 -0.648 . . . . 10.0 113.805 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -64.15 112.12 2.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.862 0.363 . . . . 10.0 111.165 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.2 m -107.8 127.56 53.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.021 -0.536 . . . . 10.0 109.623 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.485 HG13 ' HB ' ' B' ' 5' ' ' VAL . 15.4 pt -113.8 139.67 38.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.87 0.367 . . . . 10.0 111.315 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.8 m -85.31 137.8 32.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.758 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' B' ' 29' ' ' LYS . 22.3 tp -137.37 150.48 47.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.372 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -112.63 119.76 39.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.334 0.588 . . . . 10.0 111.2 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.61 HG11 HG22 ' B' ' 26' ' ' VAL . 2.4 m -143.82 152.83 15.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.478 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.406 ' O ' HD12 ' B' ' 56' ' ' LEU . 67.0 mm-40 -101.13 158.89 30.94 Favored Pre-proline 0 C--N 1.316 -0.858 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.457 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 50.3 Cg_exo -55.26 -23.29 36.51 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.394 2.062 . . . . 10.0 112.797 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -80.22 -14.62 58.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.867 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.33 137.55 56.13 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.921 0.391 . . . . 10.0 110.53 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 5.0 p -87.99 157.68 18.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.646 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.485 HG13 ' HB3' ' B' ' 50' ' ' LEU . 42.3 mm -59.71 -36.03 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.95 -40.19 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.109 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -71.08 -36.58 72.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.234 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.61 HG22 HG11 ' B' ' 17' ' ' VAL . 87.4 t -61.21 -43.32 96.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.628 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.29 -42.38 86.5 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.721 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.07 -40.41 96.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.32 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.727 ' HB3' HD11 ' B' ' 15' ' ' LEU . 94.2 mttt -65.56 -29.83 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.901 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.9 mt -73.53 -43.4 55.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.78 -25.86 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.586 -0.733 . . . . 10.0 109.969 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 9.1 t70 -59.73 -37.87 80.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.459 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.437 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 13.3 ptpt -101.25 -40.67 7.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.704 1.001 . . . . 10.0 113.704 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -88.6 -52.91 4.9 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.24 -14.13 18.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.223 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 60.6 mt -61.36 119.69 48.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 110.443 -0.206 . . . . 10.0 110.443 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 31.7 Cg_exo -60.59 141.56 95.57 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.723 2.282 . . . . 10.0 112.201 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -56.08 -28.32 69.23 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.32 2.68 . . . . 10.0 112.161 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -64.35 -24.07 67.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.389 0.614 . . . . 10.0 110.603 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.607 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 20.9 mt-30 -107.44 15.74 24.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.576 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -108.47 113.28 26.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.539 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.736 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 61.6 ttt-85 -112.73 95.72 5.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.656 ' HB3' HD12 ' B' ' 50' ' ' LEU . 62.3 mt -86.95 124.3 33.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.09 -0.505 . . . . 10.0 112.119 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.5 mm -119.12 126.85 75.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.237 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -121.1 105.14 10.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.661 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.05 35.81 25.49 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.909 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.44 -15.99 60.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.033 -0.604 . . . . 10.0 112.768 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -89.32 126.82 35.68 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.464 -0.199 . . . . 10.0 110.464 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -76.68 124.59 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.044 -0.724 . . . . 10.0 109.044 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.656 HD12 ' HB3' ' B' ' 43' ' ' LEU . 83.7 mt -76.87 115.98 17.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.964 0.411 . . . . 10.0 111.774 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.422 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 2.2 tm-20 -80.26 133.77 36.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.84 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.87 -41.97 62.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.65 -4.17 84.56 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 121.041 -0.599 . . . . 10.0 114.584 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.422 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 5.5 mmp_? -94.72 157.87 15.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.48 0.64 . . . . 10.0 111.288 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 70.5 p -103.02 171.77 7.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 86.1 mt -67.61 -23.31 65.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.901 0.381 . . . . 10.0 110.356 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -75.32 -22.31 57.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.868 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.68 -40.3 95.17 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.617 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -99.94 6.36 45.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.988 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 56.02 63.52 2.0 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.333 0.587 . . . . 10.0 110.739 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -97.66 128.5 48.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.635 -0.712 . . . . 10.0 110.727 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -101.89 -171.87 2.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.052 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.503 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 11.1 pttp -78.93 160.46 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.456 0.17 . . . . 10.0 110.805 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 71.6 6.01 5.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.641 0.608 . . . . 10.0 112.641 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.9 m -72.42 141.93 48.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.92 0.391 . . . . 10.0 110.775 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.4 m -107.92 118.13 35.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.647 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.423 HD22 HD11 ' B' ' 50' ' ' LEU . 61.3 mt -96.35 135.74 37.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.967 -0.56 . . . . 10.0 109.566 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -89.86 115.45 27.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.892 -0.41 . . . . 10.0 109.892 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.536 HD23 HG22 ' B' ' 7' ' ' THR . 60.1 tp -96.98 107.98 20.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.122 0.487 . . . . 10.0 111.86 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.736 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 41.8 t -95.1 132.41 39.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.411 HD22 ' SD ' ' A' ' 122' ' ' MET . 46.1 tp -79.78 112.92 17.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.886 0.375 . . . . 10.0 111.753 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.607 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 7.0 ttp180 -90.97 76.24 6.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.492 ' H ' ' HG ' ' B' ' 73' ' ' LEU . 0.4 OUTLIER -71.92 121.62 19.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.907 -0.588 . . . . 10.0 112.323 -179.308 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -94.36 97.35 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.106 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.31 56.56 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.624 -0.798 . . . . 10.0 112.117 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.422 ' SG ' HD13 ' B' ' 73' ' ' LEU . 2.9 m . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.254 -0.879 . . . . 99.99 109.684 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.656 0.265 . . . . 10.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -31.42 67.36 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 46.1 ttm -53.14 -47.23 68.89 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.44 -0.346 . . . . 10.0 111.832 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -74.49 -39.47 62.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.611 -0.268 . . . . 10.0 110.579 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.8 t -55.81 -47.13 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.15 -41.98 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 10.0 110.543 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -43.28 85.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.106 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.828 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.0 mt-10 -63.95 -36.13 82.95 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.605 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.44 -47.37 86.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.936 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -60.48 -39.7 88.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.768 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -56.53 -52.08 66.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.2 0.524 . . . . 10.0 110.814 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -76.81 -21.84 54.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.518 -0.765 . . . . 10.0 112.734 -178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -78.76 -36.04 43.63 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.643 -0.423 . . . . 10.0 110.949 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -78.24 -36.88 46.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.44 0.638 . . . . 10.0 110.074 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -127.07 81.24 70.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.005 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 1.2 Cg_endo -85.07 126.6 3.3 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.13 2.553 . . . . 10.0 112.127 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 32.5 Cg_exo -61.61 146.49 96.81 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.402 2.068 . . . . 10.0 110.462 178.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 51.3 Cg_exo -55.2 -25.22 45.32 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.753 2.302 . . . . 10.0 113.236 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -94.13 4.78 53.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.462 HD21 HD13 ' A' ' 24' ' ' LEU . 24.4 tp -124.72 102.01 7.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -108.33 136.85 47.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 63.3 t30 56.88 74.69 0.4 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.939 -1.028 . . . . 10.0 113.239 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 36' ' ' ALA . 7.1 tp -95.74 97.08 9.42 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.997 -0.742 . . . . 10.0 108.997 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -122.72 143.39 49.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.056 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.13 162.27 28.65 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.618 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 20.7 t70 -64.72 149.69 48.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.909 0.385 . . . . 10.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.05 -39.2 71.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.561 -0.745 . . . . 10.0 112.466 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.81 -38.63 6.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.175 0.806 . . . . 10.0 113.175 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.618 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 16.0 t-20 -109.03 130.05 55.47 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -82.5 -14.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.747 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.61 -3.62 57.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.441 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.432 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 49.0 t -114.28 119.67 61.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.785 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 45.8 m0 -106.57 140.94 38.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.822 0.344 . . . . 10.0 111.198 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -122.22 121.62 37.25 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HB3' HD11 ' A' ' 52' ' ' LEU . . . -149.24 164.81 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.759 0.314 . . . . 10.0 111.524 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.6 mt -111.11 121.71 46.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.517 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.519 ' HB2' HD23 ' A' ' 52' ' ' LEU . 28.0 tp -87.81 134.88 33.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mp -118.65 86.86 30.51 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.627 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.31 151.05 59.81 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.456 2.104 . . . . 10.0 110.353 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -105.01 -1.92 25.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.851 0.358 . . . . 10.0 111.647 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.455 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.4 tp-100 -86.78 131.71 44.45 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.522 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 22.6 Cg_exo -67.68 143.74 63.19 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.603 2.202 . . . . 10.0 110.831 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 63.3 Cg_endo -97.73 10.96 34.67 Favored 'Cis proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.757 -1.351 . . . . 10.0 112.393 0.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -62.2 -24.16 67.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.457 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -4.25 13.1 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.136 0.791 . . . . 10.0 113.136 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -86.34 -19.98 29.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.145 0.424 . . . . 10.0 112.145 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -139.34 -171.4 3.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.73 0.3 . . . . 10.0 110.796 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.6 155.82 41.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.131 -0.486 . . . . 10.0 109.778 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -125.91 127.98 46.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.781 0.324 . . . . 10.0 111.243 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -81.43 131.32 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.471 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.519 HD23 ' HB2' ' A' ' 38' ' ' LEU . 1.9 pp -114.39 150.04 35.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.898 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -118.06 107.91 14.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.108 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.785 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 65.0 mt -92.94 119.39 40.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.684 -0.488 . . . . 10.0 109.684 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.62 109.63 19.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.954 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -87.86 125.85 63.32 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.639 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 73.7 Cg_endo -76.54 152.52 33.84 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.332 2.021 . . . . 10.0 111.239 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.15 -14.75 46.85 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.613 2.209 . . . . 10.0 111.754 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -91.91 14.29 16.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.008 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.54 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 15.4 t80 -66.46 144.58 98.73 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.54 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 94.4 Cg_endo -98.25 26.74 18.03 Favored 'Cis proline' 0 N--CA 1.458 -0.568 0 C-N-CA 124.281 -1.133 . . . . 10.0 112.731 0.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -78.9 -22.85 45.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.401 0.62 . . . . 10.0 109.699 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -116.74 140.08 26.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.311 -0.859 . . . . 10.0 109.972 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.426 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 45.0 Cg_endo -68.16 143.14 58.14 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.86 2.373 . . . . 10.0 113.081 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.5 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 56.1 Cg_endo -72.41 143.29 38.55 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.704 2.269 . . . . 10.0 111.617 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.0 mtm -92.23 99.29 12.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.782 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.587 HG12 HG23 ' A' ' 54' ' ' ILE . 54.7 mt -104.04 126.08 58.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.002 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.492 ' HB2' ' HE3' ' A' ' 68' ' ' LYS . 12.5 ptmt -138.42 169.69 17.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.42 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -98.21 127.8 44.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.723 0.297 . . . . 10.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.6 -28.25 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.441 HG21 ' HA2' ' A' ' 147' ' ' GLY . 15.8 m -93.85 131.91 38.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.352 -0.84 . . . . 10.0 109.374 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -66.88 115.41 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 10.0 111.194 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 tt -117.32 127.82 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.893 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.02 77.71 6.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -123.1 135.17 25.63 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.759 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 18.9 Cg_endo -60.67 -6.34 5.66 Favored 'Trans proline' 0 N--CA 1.478 0.559 0 C-N-CA 123.169 2.579 . . . . 10.0 114.195 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -117.24 15.7 14.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.869 0.366 . . . . 10.0 110.605 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.05 140.33 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.762 -0.829 . . . . 10.0 108.762 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.92 179.45 5.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.602 0.239 . . . . 10.0 111.516 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -63.16 -30.61 71.73 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -76.16 -29.65 57.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 10.0 111.036 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.48 24.12 6.91 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.458 -0.657 . . . . 10.0 111.458 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -86.64 150.83 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.194 -0.299 . . . . 10.0 110.194 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pt -137.28 148.47 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.89 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 0.8 OUTLIER -110.31 103.74 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.151 -0.477 . . . . 99.99 111.015 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.504 ' HB3' HG22 ' A' ' 88' ' ' ILE . 8.5 mp -107.97 122.43 40.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.724 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 13.6 Cg_exo -70.24 3.7 2.84 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.145 2.563 . . . . 10.0 113.052 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.504 HG22 ' HB3' ' A' ' 86' ' ' LEU . 20.7 tt -96.47 -20.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.983 0.421 . . . . 10.0 110.361 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 64' ' ' PRO . 19.7 pt -126.45 25.02 2.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.416 0.626 . . . . 10.0 110.149 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' B' ' 75' ' ' GLY . 20.3 p -79.69 162.55 25.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.593 -0.731 . . . . 10.0 110.923 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -71.66 -23.53 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.266 0.555 . . . . 10.0 110.238 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -83.77 -45.53 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.536 -0.756 . . . . 10.0 109.855 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -119.29 107.69 13.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -153.52 135.5 14.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.284 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 17.2 mtpt -133.28 121.69 16.71 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.635 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 30.5 Cg_exo -64.2 -14.03 41.37 Favored 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 123.192 2.595 . . . . 10.0 112.363 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -74.88 -17.09 60.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.111 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.35 144.31 30.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.646 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.828 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 59.9 mtpt -108.2 171.31 7.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.218 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.4 m -59.45 -31.28 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.472 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -56.07 -50.9 69.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.876 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -68.6 -31.69 71.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.796 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -66.47 -45.36 89.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.673 -0.492 . . . . 10.0 109.673 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.69 -34.3 77.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.666 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 109' ' ' VAL . 3.8 tt0 -63.91 -47.61 79.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.98 -38.15 81.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.284 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 111' ' ' VAL . 49.0 tp -62.99 -46.37 88.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.492 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -58.86 -40.41 84.21 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.081 0.467 . . . . 10.0 110.297 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 105' ' ' GLU . 61.2 t -63.75 -45.64 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.281 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.57 -30.46 71.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.611 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 107' ' ' LEU . 73.2 t -74.83 -49.44 29.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.01 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -71.3 -32.89 69.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.303 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' A' ' 113' ' ' ARG . 17.6 mmm180 -117.5 91.04 36.83 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.01 121.2 7.84 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.966 2.444 . . . . 10.0 111.897 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -76.88 111.84 12.84 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.2 pt -89.8 -14.95 8.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.651 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -85.3 -30.97 23.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.355 0.598 . . . . 10.0 109.766 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -132.17 66.6 77.73 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.2 -0.909 . . . . 10.0 109.707 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -97.19 174.61 0.66 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.955 2.437 . . . . 10.0 112.526 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.7 mp -107.15 -15.9 14.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.373 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.569 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 14.4 mtp180 -127.39 105.71 8.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.51 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 92.5 mtp -69.31 -25.61 64.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.778 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.569 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 18.6 p-10 -68.5 -40.78 80.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 10.0 111.474 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.651 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.6 mp -84.57 -35.24 22.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.546 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.61 83.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 10.0 111.195 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 2.5 t0 -63.28 -43.55 97.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.157 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 32.2 tp -57.46 -45.72 84.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.737 -0.665 . . . . 10.0 111.56 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.23 -34.32 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.012 0.434 . . . . 10.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.2 m -71.03 -34.95 71.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 47.1 mm-40 -82.31 -57.27 3.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.786 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -141.63 104.02 5.88 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.836 0.35 . . . . 10.0 111.163 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.98 -32.46 65.24 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.083 2.522 . . . . 10.0 112.093 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.523 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 37.0 tp10 -68.36 -44.03 76.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.552 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 27.5 tp -62.85 -38.93 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.184 0.516 . . . . 10.0 109.92 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.651 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 73.5 t80 -66.76 -42.78 85.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.505 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.3 ttp85 -59.87 -40.56 89.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.347 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.523 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 65.2 mttm -55.85 -57.21 13.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.84 0.353 . . . . 10.0 111.486 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -64.14 -41.52 97.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.629 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.62 81.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.773 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.75 -48.21 75.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.322 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.17 -40.4 89.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.912 0.387 . . . . 10.0 110.059 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -62.99 -45.01 94.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.215 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 31.0 m -64.48 -45.33 87.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.266 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 65.7 mt -79.81 15.89 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.722 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -127.14 -56.9 1.33 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.884 0.373 . . . . 10.0 111.256 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -89.46 -33.69 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.563 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.441 ' HA2' HG21 ' A' ' 71' ' ' THR . . . -63.73 153.6 46.96 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.96 -0.564 . . . . 10.0 113.434 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 15.0 t -83.61 147.54 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -55.98 137.41 50.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.612 0.244 . . . . 10.0 111.472 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -63.99 121.32 70.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.582 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo . . . . . 0 C--O 1.25 1.116 0 C-N-CA 122.726 2.284 . . . . 10.0 112.284 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.0 ptt? . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.651 0.262 . . . . 10.0 110.436 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -86.39 130.93 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.015 0.436 . . . . 10.0 111.38 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 pt -131.23 168.4 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' B' ' 66' ' ' THR . 94.7 m-85 -119.76 131.97 55.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.708 0.29 . . . . 10.0 111.341 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -113.64 114.85 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -103.82 120.47 41.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 10.0 111.364 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.517 HG22 HD23 ' B' ' 69' ' ' LEU . 23.8 p -80.43 177.57 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.573 HD11 HG13 ' B' ' 70' ' ' VAL . 74.5 mt -74.68 -10.69 59.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.919 0.39 . . . . 10.0 111.424 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.402 HG21 ' H ' ' A' ' 123' ' ' ASP . 0.2 OUTLIER -98.09 2.75 49.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.08 0.467 . . . . 10.0 111.072 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.44 -12.39 68.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 10.0 113.107 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -67.82 108.27 2.92 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -98.28 119.39 36.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.698 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 pt -105.48 151.17 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.385 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.54 120.39 32.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.819 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' B' ' 29' ' ' LYS . 17.0 tp -121.2 147.39 45.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.85 0.357 . . . . 10.0 110.574 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -122.25 115.82 23.04 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.128 0.489 . . . . 10.0 111.309 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' B' ' 1' ' ' MET . 0.2 OUTLIER -146.1 160.42 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.577 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 58.6 mm-40 -106.34 160.16 27.19 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.484 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 50.9 Cg_exo -56.09 -25.89 56.9 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.55 2.167 . . . . 10.0 112.573 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.52 -6.27 58.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.951 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.5 m-20 -77.05 143.21 39.46 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.81 0.338 . . . . 10.0 111.091 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 21.7 p -86.83 156.12 20.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.104 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.45 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 50.8 mm -61.43 -34.92 63.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.905 0.383 . . . . 10.0 110.099 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.67 -41.31 97.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.508 . . . . 10.0 110.164 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -69.19 -34.92 75.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.108 0.48 . . . . 10.0 109.982 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.482 HG22 HG11 ' B' ' 17' ' ' VAL . 79.4 t -61.26 -44.47 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.45 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.94 -39.48 89.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.573 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.78 86.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.633 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.518 ' HB3' HD11 ' B' ' 15' ' ' LEU . 73.2 mttt -67.87 -38.32 82.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.567 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.04 -38.12 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 10.0 109.84 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -67.41 -32.66 73.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.182 0.515 . . . . 10.0 110.116 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.33 -52.34 58.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.677 -0.692 . . . . 10.0 112.085 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -45.1 19.3 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -87.49 -75.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.736 0.303 . . . . 10.0 111.071 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.24 -13.87 3.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.648 -0.787 . . . . 10.0 111.969 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 50.1 mt -57.53 123.21 60.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.264 . . . . 10.0 110.488 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.0 Cg_exo -57.74 136.53 76.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.958 2.438 . . . . 10.0 111.622 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.1 Cg_exo -56.58 -27.08 67.77 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.188 2.592 . . . . 10.0 111.751 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.91 -26.84 65.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.48 -0.782 . . . . 10.0 110.51 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.643 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 43.7 mt-30 -102.09 12.7 36.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.381 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 74.0 mt-30 -99.93 104.5 16.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.084 0.401 . . . . 10.0 112.084 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.663 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 31.7 ttt180 -105.33 90.68 3.5 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 178.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' B' ' 50' ' ' LEU . 47.7 mt -82.68 125.42 31.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.705 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.42 ' CD1' ' HG2' ' B' ' 49' ' ' GLN . 29.6 mm -115.59 134.53 58.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.422 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.666 ' HB3' HD21 ' B' ' 50' ' ' LEU . 90.7 t80 -151.89 134.67 15.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.86 27.82 17.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.056 0.455 . . . . 10.0 111.592 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.32 -2.1 83.02 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.771 -0.65 . . . . 10.0 113.694 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -119.75 160.92 21.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.991 0.424 . . . . 10.0 111.827 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.42 ' HG2' ' CD1' ' B' ' 44' ' ' ILE . 22.6 mt-30 -84.58 136.99 33.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.746 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' B' ' 45' ' ' PHE . 71.1 mt -79.64 112.76 17.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.08 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -76.27 130.39 38.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.898 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.45 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.3 m-20 -53.33 -40.26 64.73 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.164 0.801 . . . . 10.0 113.164 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.93 19.19 7.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.907 -0.663 . . . . 10.0 113.987 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.441 ' HD3' ' CG ' ' B' ' 58' ' ' ASP . 5.8 mmp_? -123.41 168.93 11.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.249 0.524 . . . . 10.0 110.552 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 20.4 p -108.96 173.94 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.484 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 52.1 mt -65.59 -31.38 72.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 10.0 111.228 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -22.21 63.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.313 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.441 ' CG ' ' HD3' ' B' ' 54' ' ' ARG . 6.0 m-20 -64.47 -29.65 70.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -110.47 8.51 23.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.127 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 57.44 43.92 22.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.407 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -76.23 120.2 25.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.908 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -102.42 -172.39 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.271 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -74.3 155.1 38.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.603 0.24 . . . . 10.0 111.334 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 63.64 21.99 12.95 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.698 0.629 . . . . 10.0 112.698 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.3 m -86.84 139.8 30.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.676 -0.238 . . . . 10.0 110.425 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 8.9 m -100.67 119.96 39.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.866 0.365 . . . . 10.0 111.249 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 73.1 mt -97.28 139.87 32.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -94.2 112.37 24.17 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.106 -0.331 . . . . 10.0 110.106 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.517 HD23 HG22 ' B' ' 7' ' ' THR . 56.5 tp -95.77 105.18 17.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.07 0.462 . . . . 10.0 111.585 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.663 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 61.3 t -93.67 123.8 45.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.733 -0.667 . . . . 10.0 109.21 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mp -76.3 108.3 9.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.783 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.643 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 13.2 ttp85 -77.74 90.63 4.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.105 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -72.22 109.96 6.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.099 0.476 . . . . 10.0 110.866 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 74' ' ' ARG . 2.1 ttp180 -114.76 132.4 56.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.071 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 90' ' ' SER . . . 127.66 -36.28 2.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.663 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 1.062 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 62.6 m . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.445 -0.788 . . . . 10.0 110.772 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.477 0.18 . . . . 10.0 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -39.64 49.33 Favored 'General case' 0 CA--C 1.528 0.101 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.3 mtm -53.17 -54.7 31.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.732 0.301 . . . . 10.0 111.779 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -71.62 -37.2 70.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.615 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.0 t -57.61 -48.57 82.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.782 0.325 . . . . 10.0 110.433 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.83 -36.12 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 10.0 110.307 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.46 -46.29 83.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.538 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.54 -34.08 73.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.19 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.64 -45.92 91.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -63.04 -43.74 97.82 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.672 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -54.68 -53.92 48.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.56 -25.61 61.42 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.103 0.779 . . . . 10.0 113.103 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -79.15 -32.7 44.44 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.696 -0.402 . . . . 10.0 111.019 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -74.57 -38.88 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -128.4 81.25 70.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.523 178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 6.7 Cg_exo -74.66 134.8 18.9 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.987 2.458 . . . . 10.0 112.366 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 27.2 Cg_exo -64.3 145.98 89.34 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.609 2.206 . . . . 10.0 110.744 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.6 Cg_exo -61.27 -14.99 37.36 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.795 2.33 . . . . 10.0 112.814 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -108.29 11.32 27.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.494 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 18' ' ' PRO . 17.2 tp -132.81 124.1 27.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.674 0.273 . . . . 10.0 110.586 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -133.52 163.17 30.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.617 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.9 t30 57.64 31.8 20.92 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.796 -0.638 . . . . 10.0 112.343 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 25.3 tp -69.63 104.87 2.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.946 0.403 . . . . 10.0 110.821 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.99 164.67 27.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.273 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 p -87.9 161.09 17.67 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 12.1 t70 -63.49 145.33 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -52.69 -40.59 63.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.486 0.551 . . . . 10.0 112.486 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.86 -31.71 6.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.712 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 19.7 t-20 -100.32 121.95 42.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.269 0.557 . . . . 10.0 112.294 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.19 -15.2 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.726 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.4 mt -93.47 10.52 32.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.424 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.9 t -126.96 125.99 67.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.805 0.336 . . . . 10.0 110.382 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.63 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 48.7 m0 -103.95 144.29 31.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.959 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -126.27 115.57 19.92 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.093 -1.077 . . . . 10.0 108.093 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' ' 24' ' ' LEU . . . -145.73 169.7 17.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 10.0 112.046 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -113.39 129.46 56.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.378 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.529 ' HB2' HD23 ' A' ' 52' ' ' LEU . 28.1 tp -94.35 132.45 38.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -112.52 90.36 14.51 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.731 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 16.9 Cg_exo -68.59 146.88 68.95 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.407 2.071 . . . . 10.0 111.622 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -99.53 -28.44 13.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.706 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.81 129.64 86.44 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.92 150.79 67.74 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.739 2.293 . . . . 10.0 110.919 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -92.64 15.41 46.13 Favored 'Cis proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.962 -1.266 . . . . 10.0 112.255 -0.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -70.29 -9.91 57.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.574 0.702 . . . . 10.0 110.268 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -78.34 -11.31 59.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.41 -0.814 . . . . 10.0 110.827 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.92 -39.49 66.26 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 51.7 mmtt -132.66 -160.58 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.57 -0.286 . . . . 10.0 110.571 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -132.5 168.03 18.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -131.39 143.65 50.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.596 0.236 . . . . 10.0 110.666 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -93.5 135.47 34.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.739 0.304 . . . . 10.0 110.794 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.529 HD23 ' HB2' ' A' ' 38' ' ' LEU . 2.7 pp -122.38 151.36 41.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.104 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -122.88 112.96 18.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.235 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.675 HG23 HG12 ' A' ' 67' ' ' ILE . 54.1 mt -99.53 112.78 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -108.35 120.46 42.44 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.918 0.39 . . . . 10.0 111.019 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -93.54 128.53 41.84 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.787 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.81 155.29 53.74 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.442 2.095 . . . . 10.0 111.045 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.24 12.52 0.62 Allowed 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.797 2.331 . . . . 10.0 112.061 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -120.42 17.67 12.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.559 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.476 ' CG ' ' HA ' ' A' ' 61' ' ' PRO . 6.5 t80 -67.95 144.06 96.83 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.196 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.476 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . 65.4 Cg_endo -97.37 25.01 21.51 Favored 'Cis proline' 0 C--N 1.347 0.49 0 C-N-CA 124.017 -1.243 . . . . 10.0 112.895 0.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -73.61 -29.23 62.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.204 0.526 . . . . 10.0 109.961 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -110.11 142.9 26.9 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.996 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.04 144.0 62.1 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.882 2.388 . . . . 10.0 113.467 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.25 133.62 16.45 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.683 2.255 . . . . 10.0 111.01 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.3 mtm -87.32 107.79 18.67 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.029 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.675 HG12 HG23 ' A' ' 54' ' ' ILE . 40.5 mt -108.25 118.35 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.122 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.466 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 9.2 ptmm? -128.68 159.36 35.87 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -85.97 140.85 29.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.772 0.32 . . . . 10.0 110.51 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.87 4.51 45.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.385 0.612 . . . . 10.0 109.723 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.34 155.99 48.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.687 -0.688 . . . . 10.0 109.571 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.551 ' HB3' ' HE2' ' A' ' 142' ' ' PHE . 32.8 mtpt -82.98 104.04 12.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.961 0.41 . . . . 10.0 111.453 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.1 tt -104.35 124.01 58.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.699 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -78.2 74.53 4.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.425 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -123.32 132.71 24.28 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.123 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 19.6 Cg_endo -58.0 -20.83 47.01 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.18 2.587 . . . . 10.0 114.179 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 119' ' ' PRO . 13.5 m120 -107.5 18.25 21.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.752 0.311 . . . . 10.0 111.49 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.514 HG22 HG22 ' A' ' 84' ' ' ILE . 67.6 t -133.3 140.25 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.651 ' HB3' ' HB2' ' A' ' 83' ' ' GLN . 12.7 t70 -88.44 157.95 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.189 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -62.45 -24.06 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -83.94 -1.36 54.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.327 0.584 . . . . 10.0 110.197 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.89 19.38 43.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.982 -0.627 . . . . 10.0 111.608 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.651 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 10.3 mm100 -85.57 145.55 27.31 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.514 HG22 HG22 ' A' ' 78' ' ' VAL . 24.2 pt -134.59 176.23 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.574 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 1.3 m -137.85 102.93 4.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.621 -0.718 . . . . 99.99 109.121 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.56 ' HB3' HG12 ' A' ' 89' ' ' ILE . 3.3 tp -118.37 116.77 35.16 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.846 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 24.3 Cg_exo -64.9 -0.26 3.08 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.197 2.598 . . . . 10.0 113.301 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.8 tt -95.04 -25.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.726 0.298 . . . . 10.0 111.234 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.56 HG12 ' HB3' ' A' ' 86' ' ' LEU . 8.8 pt -104.6 -27.43 3.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.982 -0.287 . . . . 10.0 111.367 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.8 p -51.95 142.36 15.81 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.367 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -7.58 1.86 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -71.96 -28.23 63.3 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.344 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -153.63 41.3 0.53 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.058 0.456 . . . . 10.0 111.634 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -83.27 127.99 34.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.041 0.448 . . . . 10.0 111.455 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -122.24 122.59 27.45 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.466 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.88 -18.09 47.54 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.301 2.668 . . . . 10.0 113.424 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.4 p -78.34 -12.03 59.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 10.0 111.301 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -80.43 134.52 36.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.591 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -90.48 161.47 15.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.416 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.1 m -64.89 -27.76 69.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.157 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.74 -37.5 86.83 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.166 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -70.9 -35.67 72.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.818 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.91 -46.47 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.64 -0.709 . . . . 10.0 109.856 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.476 HD21 HD11 ' A' ' 54' ' ' ILE . 80.7 mt -62.37 -33.22 74.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.485 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 109' ' ' VAL . 32.2 tt0 -65.66 -49.71 67.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.862 -0.608 . . . . 10.0 109.672 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.15 -39.49 90.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.983 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.99 -48.79 80.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.906 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -57.44 -39.95 77.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.659 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 105' ' ' GLU . 90.8 t -63.78 -48.4 86.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.187 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.52 -31.99 73.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 10.0 112.007 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 70.7 t -72.21 -48.24 49.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.59 -0.277 . . . . 10.0 110.691 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -73.81 -31.38 63.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.983 0.42 . . . . 10.0 111.682 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -119.54 95.39 49.21 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.11 122.4 9.48 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.977 2.451 . . . . 10.0 113.265 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -79.25 92.29 5.1 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.7 pt -72.96 -10.68 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 10.0 112.002 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -74.64 -42.47 58.5 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -134.99 77.34 56.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.951 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.413 ' HA ' ' ND2' ' A' ' 77' ' ' ASN . 63.1 Cg_endo -97.15 177.89 0.5 Allowed 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.284 2.656 . . . . 10.0 112.433 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.8 mp -100.87 -43.29 6.13 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.402 ' HD3' HD22 ' A' ' 124' ' ' LEU . 9.5 mtp180 -101.75 103.63 14.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.196 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.7 mtp -56.75 -44.63 81.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.996 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -57.49 -48.33 79.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.504 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.541 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 6.6 mp -64.83 -39.83 94.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.618 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.08 -43.66 74.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.966 0.412 . . . . 10.0 110.571 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 9.0 t0 -60.11 -53.05 62.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.615 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.576 HD11 HD23 ' A' ' 134' ' ' LEU . 12.9 tp -55.64 -45.47 77.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.224 -0.898 . . . . 10.0 112.048 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.401 HD13 ' CD2' ' A' ' 135' ' ' PHE . 67.4 tp -62.4 -31.96 72.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 10.0 111.628 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.9 m -79.76 -26.47 40.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.056 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 22.0 mm-40 -87.44 -51.66 5.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.244 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -140.77 106.63 6.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.724 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.13 -35.78 51.15 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.688 2.259 . . . . 10.0 112.103 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.484 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 38.4 tp10 -68.78 -39.37 80.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.177 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.576 HD23 HD11 ' A' ' 127' ' ' LEU . 12.7 tp -62.65 -42.69 99.75 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.95 0.405 . . . . 10.0 110.356 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.541 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 88.7 t80 -70.29 -39.12 75.06 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -58.6 -48.25 81.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.833 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.484 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 64.6 mttm -58.42 -43.31 88.61 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.995 0.426 . . . . 10.0 110.796 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -66.25 -50.43 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.64 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.84 91.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.82 -50.43 73.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 10.0 109.972 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -56.72 -46.19 81.43 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.395 -0.82 . . . . 10.0 110.544 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.551 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -66.35 -40.87 90.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.119 -179.281 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.516 HG22 ' HB2' ' A' ' 48' ' ' LYS . 27.3 m -63.89 -35.92 82.22 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.292 0.568 . . . . 10.0 111.097 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.0 mt -90.6 10.62 24.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.826 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -119.36 -49.1 2.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.269 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -121.91 33.74 5.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.96 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -112.72 151.77 18.1 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.148 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.523 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 10.5 t -80.84 156.65 4.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.47 150.65 26.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.796 0.331 . . . . 10.0 111.679 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.498 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 10.9 tpt180 -91.4 111.36 48.58 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.015 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo . . . . . 0 C--O 1.25 1.11 0 C-N-CA 122.752 2.301 . . . . 10.0 111.376 179.263 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.307 -0.257 . . . . 10.0 110.307 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -97.27 128.77 44.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.515 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 pt -130.74 165.97 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.156 -0.683 . . . . 10.0 109.156 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' B' ' 66' ' ' THR . 98.6 m-85 -122.9 130.7 53.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.737 0.303 . . . . 10.0 110.853 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 33.9 t -115.08 111.61 36.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -101.4 128.43 47.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.925 0.393 . . . . 10.0 110.915 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.412 HG22 HD23 ' B' ' 69' ' ' LEU . 21.5 p -94.22 175.57 6.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.278 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.658 HD11 HG13 ' B' ' 70' ' ' VAL . 91.6 mt -73.55 -8.34 55.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.806 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.9 p -97.28 2.73 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.035 0.445 . . . . 10.0 111.06 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.28 -9.87 71.26 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.974 -0.631 . . . . 10.0 112.171 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -70.73 102.96 2.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.066 0.46 . . . . 10.0 110.091 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -96.7 110.4 22.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.023 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 27.2 pt -104.58 140.46 22.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.17 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 146.37 28.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' B' ' 29' ' ' LYS . 14.9 tp -136.19 133.5 37.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.147 0.499 . . . . 10.0 111.5 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -100.3 103.33 14.75 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.311 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.5 m -140.05 156.05 24.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.498 -0.774 . . . . 10.0 109.752 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.1 mm-40 -104.3 162.75 18.94 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.16 -26.15 58.91 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.089 1.86 . . . . 10.0 111.227 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.47 -10.99 59.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.343 -0.844 . . . . 10.0 112.108 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.6 OUTLIER -68.55 130.76 43.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.994 0.426 . . . . 10.0 111.093 -179.425 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.0 OUTLIER -80.04 152.38 29.43 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.746 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.566 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 41.0 mm -56.72 -36.58 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.989 0.423 . . . . 10.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.467 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 1.4 tt0 -61.53 -41.68 97.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.196 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.17 -34.76 78.23 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.081 0.467 . . . . 10.0 109.858 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.05 -45.16 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.219 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.45 -37.1 85.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.936 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.95 98.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.415 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.436 ' HB3' HD11 ' B' ' 15' ' ' LEU . 99.0 mttt -66.91 -35.24 79.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.818 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.7 mt -69.54 -40.16 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.588 -0.523 . . . . 10.0 109.588 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -67.04 -26.63 66.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.3 0.572 . . . . 10.0 109.705 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.18 -45.48 73.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -85.85 -54.76 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.007 0.743 . . . . 10.0 113.007 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -79.23 -55.33 5.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.069 0.461 . . . . 10.0 111.746 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.22 -6.12 15.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.279 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 40.8 mt -66.57 121.74 78.65 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 38.7 Cg_exo -62.17 140.72 85.11 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.568 2.179 . . . . 10.0 111.265 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.5 Cg_exo -55.45 -23.21 37.73 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.189 2.593 . . . . 10.0 112.437 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.93 -32.24 73.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.989 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.58 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 50.4 mt-30 -99.82 3.41 44.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.201 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -91.28 97.56 11.19 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.103 0.408 . . . . 10.0 112.103 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.435 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 30.5 ttt180 -98.1 88.8 4.31 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.864 -0.791 . . . . 10.0 108.864 178.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.703 ' HB3' HD12 ' B' ' 50' ' ' LEU . 39.6 mt -80.71 120.98 25.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.996 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.54 129.32 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 10.0 109.598 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.588 ' HB3' HD21 ' B' ' 50' ' ' LEU . 61.8 t80 -131.15 120.87 23.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.577 -0.283 . . . . 10.0 110.933 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.04 19.17 5.73 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.12 0.785 . . . . 10.0 113.12 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.57 -4.7 50.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 10.0 113.027 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -110.45 149.28 30.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 10.0 111.222 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -84.65 130.32 34.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.605 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' B' ' 43' ' ' LEU . 79.2 mt -79.54 109.58 14.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.116 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -79.03 130.12 35.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.2 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.566 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 17.7 m-20 -53.0 -34.3 55.64 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.16 -13.69 82.52 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.858 -0.687 . . . . 10.0 114.18 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.408 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 3.1 mmp_? -97.55 163.8 12.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.299 0.549 . . . . 10.0 111.401 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 76.6 p -102.34 177.79 4.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.2 mt -69.25 -32.62 71.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.998 0.427 . . . . 10.0 110.225 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -14.85 63.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.38 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.5 m-20 -70.45 -27.73 64.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.652 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -112.35 10.54 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.182 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.403 HD22 ' HA ' ' B' ' 60' ' ' ASN . 1.9 t-20 59.72 41.55 18.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.407 0.622 . . . . 10.0 111.175 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 58.4 mt -75.58 122.68 29.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.829 -0.623 . . . . 10.0 109.833 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -104.39 -173.9 2.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.2 -0.455 . . . . 10.0 110.916 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 151.84 41.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.347 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 66.22 16.85 10.58 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 113.116 0.784 . . . . 10.0 113.116 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.5 m -77.87 139.61 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.245 -0.28 . . . . 10.0 110.245 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.1 m -102.84 116.75 33.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.138 0.494 . . . . 10.0 111.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 49.5 mt -94.28 150.39 20.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.095 -0.706 . . . . 10.0 109.095 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -105.33 114.82 29.24 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.412 HD23 HG22 ' B' ' 7' ' ' THR . 46.7 tp -96.68 108.15 20.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.032 0.444 . . . . 10.0 111.259 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.658 HG13 HD11 ' B' ' 8' ' ' LEU . 11.1 t -97.62 130.05 46.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.314 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 33.2 tp -76.58 140.67 41.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.58 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 29.9 ttp85 -115.2 131.05 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.572 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.5 mt -101.65 125.54 48.32 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -84.87 -10.87 56.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.877 0.37 . . . . 10.0 111.351 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.51 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . -173.98 160.12 29.86 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.484 -0.865 . . . . 10.0 112.326 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.699 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.485 -1.245 . . . . 99.99 108.9 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.402 ' HB1' ' HB3' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.805 0.336 . . . . 10.0 110.988 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -25.18 65.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 10.0 112.003 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.6 ttt -53.49 -46.31 69.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.567 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.409 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 12.2 ttp180 -79.11 -36.86 40.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.894 -0.323 . . . . 10.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -55.3 -47.86 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.537 . . . . 10.0 111.424 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.29 -41.01 89.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.909 0.385 . . . . 10.0 110.601 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -66.53 -43.87 83.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.057 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.94 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.503 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 44.0 tp -59.61 -50.96 71.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.94 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.534 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 12.6 tt0 -57.41 -48.05 80.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.347 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.38 -43.61 93.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.687 HD21 ' HB3' ' A' ' 101' ' ' CYS . 28.1 mt -67.67 -25.43 65.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.517 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -79.25 -17.06 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 10.0 110.498 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 76.9 mttt -81.15 -48.37 12.22 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -124.41 73.77 60.29 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.92 130.45 8.52 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.661 2.241 . . . . 10.0 111.178 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.84 149.82 81.29 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.615 2.21 . . . . 10.0 111.095 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.48 -27.86 51.74 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 123.014 2.476 . . . . 10.0 113.611 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -88.78 2.28 53.77 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 tp -123.89 113.41 18.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.889 0.376 . . . . 10.0 110.185 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -122.88 158.14 30.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.437 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 56.6 32.91 21.81 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.945 0.72 . . . . 10.0 112.945 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.8 tp -65.47 109.19 2.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.119 0.485 . . . . 10.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -147.11 168.4 21.69 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.783 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 p -96.08 160.47 14.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.246 -0.434 . . . . 10.0 109.907 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.457 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 11.1 t70 -63.88 146.3 54.26 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.96 -18.53 64.09 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.361 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.55 -1.88 11.59 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.046 0.758 . . . . 10.0 113.046 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -157.54 130.99 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 10.0 111.323 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -79.86 -17.97 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -82.89 3.88 27.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 10.0 111.783 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 61.4 t -121.98 121.54 64.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.804 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 44.5 m0 -105.07 146.0 29.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.196 0.522 . . . . 10.0 111.942 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -124.29 121.67 35.65 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.908 -1.145 . . . . 10.0 107.908 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.32 155.86 40.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.954 0.406 . . . . 10.0 111.719 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.3 mt -106.51 122.16 45.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.869 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.2 tp -93.03 131.9 37.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.867 -0.419 . . . . 10.0 109.867 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.6 mp -113.0 94.37 29.55 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HB2' ' HB2' ' A' ' 45' ' ' TYR . 11.2 Cg_exo -72.12 150.31 53.72 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.675 2.25 . . . . 10.0 111.33 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -97.9 -36.19 10.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.904 0.383 . . . . 10.0 111.266 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.8 tp-100 -60.95 128.79 89.64 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.143 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 16.0 Cg_exo -69.57 148.73 66.94 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.658 2.239 . . . . 10.0 110.998 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -96.33 23.46 25.15 Favored 'Cis proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.719 -1.367 . . . . 10.0 112.279 0.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 40' ' ' PRO . 46.2 m-85 -69.8 -9.02 53.08 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.409 0.623 . . . . 10.0 110.291 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -74.32 -15.5 60.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.417 -0.811 . . . . 10.0 110.676 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.427 HD11 ' HG3' ' A' ' 140' ' ' GLU . 81.5 mt -65.38 -44.86 86.24 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.686 0.624 . . . . 10.0 112.686 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 71.3 mmtt -132.26 -162.78 1.26 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.852 0.358 . . . . 10.0 111.322 -178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.49 167.94 15.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.405 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -132.52 132.87 43.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 10.0 111.05 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -88.75 131.61 34.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.566 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 pp -118.13 150.59 39.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.091 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -116.0 114.78 25.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.804 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 52.5 mt -98.96 108.66 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.411 -0.589 . . . . 10.0 109.411 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -104.19 111.87 24.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.917 0.389 . . . . 10.0 110.877 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -84.78 133.74 43.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.699 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.622 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 84.1 Cg_endo -79.84 154.5 23.14 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.664 2.242 . . . . 10.0 111.193 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -63.17 -15.06 45.66 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.701 2.267 . . . . 10.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.733 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 20.1 mp0 -93.94 8.9 39.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.451 -0.34 . . . . 10.0 111.549 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 23.0 t80 -60.19 141.64 90.46 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 65.1 Cg_endo -97.2 27.87 17.25 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 124.315 -1.119 . . . . 10.0 113.217 0.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -85.62 -12.74 50.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.367 0.603 . . . . 10.0 109.854 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.843 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -122.96 137.03 27.5 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.23 -0.895 . . . . 10.0 109.113 179.266 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.843 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 37.9 Cg_endo -66.67 139.75 53.97 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.675 2.25 . . . . 10.0 112.689 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.622 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 57.6 Cg_endo -73.21 145.2 38.55 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.673 2.249 . . . . 10.0 111.219 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 76.2 mtm -94.66 109.75 21.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.554 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.557 HG12 HG23 ' A' ' 54' ' ' ILE . 51.4 mt -110.16 126.68 67.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.579 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -137.28 158.45 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.052 -0.522 . . . . 10.0 109.657 179.023 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -90.89 120.04 31.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.71 0.291 . . . . 10.0 111.589 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -66.52 -45.61 78.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.319 -0.993 . . . . 10.0 108.319 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.05 145.9 26.3 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.307 -0.861 . . . . 10.0 108.686 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -82.01 132.79 35.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.95 0.405 . . . . 10.0 111.936 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.6 tt -125.07 128.31 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.539 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -76.42 80.35 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.987 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.474 ' HB3' HG23 ' A' ' 78' ' ' VAL . 17.9 t-80 -130.6 136.34 28.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.211 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.586 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 28.2 Cg_endo -62.04 -9.47 14.7 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.365 2.71 . . . . 10.0 114.034 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -113.67 18.05 17.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.9 0.381 . . . . 10.0 110.777 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 75' ' ' HIS . 48.0 t -129.24 139.7 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -82.19 169.05 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.121 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.1 -24.98 67.45 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.168 0.803 . . . . 10.0 113.168 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.455 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 11.3 t30 -84.68 -39.91 18.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 10.0 111.204 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.33 18.33 1.18 Allowed Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.919 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.45 146.63 25.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 10.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.4 HG22 HG22 ' A' ' 78' ' ' VAL . 1.8 pp -132.47 158.09 43.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.438 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.572 ' HB2' HD11 ' A' ' 120' ' ' LEU . 33.5 m -115.63 101.45 8.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.063 0.459 . . . . 99.99 109.981 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' A' ' 86' ' ' LEU . 5.9 tp -107.51 111.72 62.74 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.3 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.447 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 31.8 Cg_exo -59.95 -15.95 35.96 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.215 2.61 . . . . 10.0 113.529 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 tt -75.93 -20.15 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.983 0.42 . . . . 10.0 111.161 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 pt -129.02 32.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.318 0.58 . . . . 10.0 109.554 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.3 p -83.12 161.45 21.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.11 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m -68.23 -17.67 64.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.264 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -103.22 -17.53 15.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.325 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 87' ' ' PRO . 15.2 m-80 -137.55 97.57 3.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 35.4 t-105 -149.78 133.99 17.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.215 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 47.2 mtpt -131.87 123.4 19.07 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.724 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 31.4 Cg_exo -61.16 -20.01 66.04 Favored 'Trans proline' 0 N--CA 1.475 0.423 0 C-N-CA 123.127 2.551 . . . . 10.0 112.92 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -74.26 -13.31 60.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.197 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.5 m -81.78 133.59 35.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.284 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 51.6 mtpt -103.52 166.31 10.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.682 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m -58.91 -32.09 69.22 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.687 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -60.51 -32.65 71.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.934 0.397 . . . . 10.0 111.504 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -78.64 -39.37 37.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.008 0.432 . . . . 10.0 110.283 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.3 -43.94 97.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.084 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.492 HD21 HD11 ' A' ' 54' ' ' ILE . 69.2 mt -62.25 -37.11 84.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.192 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 109' ' ' VAL . 32.0 tt0 -66.43 -47.56 72.81 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.01 94.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.362 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.38 -46.86 88.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.375 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.27 -41.33 84.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.741 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 105' ' ' GLU . 65.8 t -65.52 -43.59 94.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.442 . . . . 10.0 110.047 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.11 -34.73 76.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.934 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -72.69 -45.15 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.038 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.476 ' O ' ' HD3' ' A' ' 114' ' ' PRO . 48.3 m-80 -73.28 -32.76 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.984 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -106.9 97.63 18.34 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.533 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 112' ' ' ASN . 12.5 Cg_exo -70.48 108.93 2.33 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.731 2.287 . . . . 10.0 112.079 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -78.7 107.71 11.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.484 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 36.3 pt -90.45 -6.98 10.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.712 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -50.6 9.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.247 0.546 . . . . 10.0 109.789 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -126.67 74.22 75.0 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.014 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -98.11 177.66 0.43 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.165 2.577 . . . . 10.0 112.836 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 85' ' ' CYS . 10.2 mp -100.1 -26.74 13.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.57 -0.741 . . . . 10.0 109.109 179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.508 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 18.2 mtp180 -121.82 103.27 8.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.258 -0.883 . . . . 10.0 110.189 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.426 ' HB2' HG21 ' B' ' 9' ' ' THR . 89.9 mtp -65.16 -31.38 72.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.933 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 21.7 p-10 -62.87 -47.97 81.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.079 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.12 -36.97 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.392 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.8 80.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.068 0.461 . . . . 10.0 110.522 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 17.5 t70 -65.34 -45.99 82.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.03 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.651 HD11 HD23 ' A' ' 134' ' ' LEU . 42.9 tp -57.91 -44.71 86.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.893 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.22 -30.97 70.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.514 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.3 m -84.37 -30.51 25.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.239 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 61.1 mm-40 -78.51 -49.35 13.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.479 -0.328 . . . . 10.0 110.781 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -145.31 99.51 4.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.196 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.47 -34.41 86.05 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.888 2.392 . . . . 10.0 111.684 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -66.3 -45.29 80.9 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.546 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.651 HD23 HD11 ' A' ' 127' ' ' LEU . 17.9 tp -61.15 -40.19 92.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.988 0.423 . . . . 10.0 110.242 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.586 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 68.3 t80 -67.24 -47.98 69.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.743 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.1 ttp85 -60.13 -41.73 93.31 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.635 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -61.05 -47.08 88.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.804 -0.634 . . . . 10.0 110.619 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -65.0 -47.11 78.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.645 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.2 -34.55 78.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.513 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.427 ' HG3' HD11 ' A' ' 47' ' ' LEU . 44.4 tt0 -58.47 -49.09 78.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.638 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.73 -45.2 90.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.424 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -60.67 -43.11 98.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.86 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 21.9 m -64.45 -35.9 82.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 10.0 111.147 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.0 mt -87.68 1.96 52.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.329 0.585 . . . . 10.0 110.91 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -105.63 -50.17 3.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -125.95 57.64 1.37 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.312 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -127.91 150.32 18.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.781 -0.723 . . . . 10.0 111.572 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 31.3 t -83.2 151.38 4.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.427 -0.583 . . . . 10.0 109.427 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -61.99 132.24 52.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.761 0.315 . . . . 10.0 110.693 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 150' ' ' ARG . 19.7 ttt180 -96.74 114.1 63.94 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.921 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--O 1.246 0.92 0 C-N-CA 123.362 2.708 . . . . 10.0 111.745 179.732 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 121.121 0.486 . . . . 10.0 110.791 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -94.3 126.98 39.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.552 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -120.54 168.34 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.804 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.558 ' HE1' ' HG3' ' B' ' 64' ' ' GLU . 97.0 m-85 -121.23 131.92 54.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.741 0.305 . . . . 10.0 110.512 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.489 ' HB ' HG13 ' B' ' 13' ' ' ILE . 39.7 t -112.59 114.04 45.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -107.27 126.97 53.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.331 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.9 p -90.0 165.52 14.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.229 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.656 HD11 HG13 ' B' ' 70' ' ' VAL . 82.3 mt -64.77 -17.32 64.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.949 0.404 . . . . 10.0 111.083 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.426 HG21 ' HB2' ' A' ' 122' ' ' MET . 0.2 OUTLIER -86.14 -9.74 56.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.96 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.32 -28.06 14.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.477 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -55.84 118.75 4.87 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.741 0.305 . . . . 10.0 110.472 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -114.92 128.86 56.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.077 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.489 HG13 ' HB ' ' B' ' 5' ' ' VAL . 15.9 pt -121.78 157.45 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.918 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.27 151.34 21.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.097 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' B' ' 29' ' ' LYS . 30.7 tp -144.87 134.47 23.35 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.981 0.42 . . . . 10.0 111.62 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -96.24 108.15 20.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.96 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.416 HG13 ' HG ' ' B' ' 15' ' ' LEU . 6.7 m -135.55 165.82 29.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.653 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 22.3 mm-40 -110.74 159.07 33.76 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.8 -20.79 70.47 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.227 1.951 . . . . 10.0 111.732 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -95.93 11.48 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.858 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -83.22 133.14 35.02 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.2 153.18 28.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.692 -0.231 . . . . 10.0 110.804 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.645 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.2 mm -57.6 -39.3 68.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.531 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.45 -38.28 86.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 10.0 110.504 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -69.36 -35.51 75.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.285 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.46 -43.48 98.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.564 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.622 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 90.1 mttt -59.23 -40.69 86.7 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.992 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.629 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.567 ' HB3' HD11 ' B' ' 15' ' ' LEU . 92.1 mttt -69.32 -32.85 72.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.585 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.15 -43.24 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.252 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -65.96 -32.93 74.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.009 0.433 . . . . 10.0 110.787 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -61.25 -40.51 94.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.915 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.514 ' HE3' HD13 ' B' ' 15' ' ' LEU . 6.2 ptpt -85.94 -44.72 12.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.618 0.599 . . . . 10.0 112.618 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -87.28 -74.14 0.45 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.78 0.324 . . . . 10.0 111.183 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.9 -24.7 1.78 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.68 -0.771 . . . . 10.0 112.177 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.0 mt -57.61 119.19 30.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 C-N-CA 122.451 0.301 . . . . 10.0 111.063 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.0 Cg_exo -57.41 141.22 94.88 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.856 2.37 . . . . 10.0 111.766 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.622 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 50.0 Cg_exo -56.39 -24.33 51.49 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.433 2.756 . . . . 10.0 112.622 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.83 -33.06 74.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 10.0 110.623 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.14 6.94 47.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.269 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -95.26 124.53 39.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.904 0.383 . . . . 10.0 111.179 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.746 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 64.8 ttt180 -120.37 99.36 6.53 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.681 ' HB3' HD12 ' B' ' 50' ' ' LEU . 67.9 mt -86.67 122.82 31.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.663 0.616 . . . . 10.0 112.663 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 25.4 mm -117.76 130.67 72.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.697 -0.683 . . . . 10.0 109.762 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.676 ' HB3' HD21 ' B' ' 50' ' ' LEU . 84.7 t80 -141.47 125.84 17.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.596 -0.275 . . . . 10.0 110.509 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.82 22.01 12.08 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.469 0.48 . . . . 10.0 112.282 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.08 0.74 82.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.126 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -111.29 152.89 26.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.149 -0.315 . . . . 10.0 110.149 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.7 129.16 36.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.764 -0.458 . . . . 10.0 109.764 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.681 HD12 ' HB3' ' B' ' 43' ' ' LEU . 65.7 mt -76.43 117.08 17.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.191 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.47 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 30.2 tt0 -75.81 125.77 29.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.212 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.645 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.0 OUTLIER -52.48 -33.39 44.51 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 -179.083 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.44 -2.16 90.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.884 -0.674 . . . . 10.0 113.768 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.47 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 3.2 mmp_? -98.71 169.35 9.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.127 0.463 . . . . 10.0 111.197 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.79 160.86 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.675 -0.693 . . . . 10.0 110.099 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.437 HD12 ' O ' ' B' ' 18' ' ' GLU . 64.6 mt -61.19 -27.65 68.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.09 0.472 . . . . 10.0 111.66 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -68.33 -28.64 67.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.824 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -60.42 -42.42 95.98 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.412 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -92.65 10.03 32.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.887 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 56.5 43.29 26.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.655 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -78.22 119.09 26.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -106.17 -165.57 1.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.063 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -73.83 149.3 41.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.328 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.558 ' HG3' ' HE1' ' B' ' 4' ' ' PHE . 1.0 OUTLIER 67.36 17.51 10.16 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.19 0.811 . . . . 10.0 113.19 179.342 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -75.85 136.76 40.18 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.3 m -103.34 106.93 17.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.068 0.461 . . . . 10.0 111.35 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 67.9 mt -84.64 145.98 27.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.381 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.402 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 48.8 m-70 -101.6 120.9 41.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 41.1 tp -102.09 114.36 28.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.18 0.514 . . . . 10.0 112.329 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.746 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 44.8 t -102.61 143.77 14.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 48.0 tp -94.49 121.73 36.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.821 0.343 . . . . 10.0 111.35 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -95.24 85.63 4.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.484 . . . . 10.0 109.701 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 28.3 mt -70.29 152.92 43.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.921 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -146.5 114.91 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.786 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.86 22.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.94 -0.648 . . . . 10.0 112.389 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 95.4 m . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.903 -0.57 . . . . 99.99 110.195 179.857 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.626 ' HB1' ' HB3' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.596 0.236 . . . . 10.0 111.631 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.22 -33.6 63.22 Favored 'General case' 0 N--CA 1.461 0.078 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.8 ttm -51.37 -54.9 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.705 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -70.95 -37.41 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.028 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -56.58 -48.37 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.793 0.33 . . . . 10.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.4 t -65.31 -41.35 91.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.67 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -44.08 96.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.229 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.567 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.7 mt-10 -63.47 -48.1 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.413 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.599 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 52.9 tp -60.42 -45.53 93.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.664 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.9 -51.0 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.585 -0.734 . . . . 10.0 111.64 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.698 ' HA ' ' HD2' ' A' ' 15' ' ' LYS . 85.9 m-20 -69.69 -37.75 76.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.745 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 101' ' ' CYS . 51.8 mt -65.47 -29.86 70.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.395 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -75.04 -25.25 58.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.049 0.452 . . . . 10.0 110.549 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.698 ' HD2' ' HA ' ' A' ' 12' ' ' ASP . 73.2 mttt -76.74 -45.14 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.278 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -127.73 75.96 77.54 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.387 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 72.4 Cg_endo -81.45 141.57 12.64 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.505 2.137 . . . . 10.0 112.353 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 26.8 Cg_exo -64.18 148.82 91.19 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 123.026 2.484 . . . . 10.0 111.381 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 32.3 Cg_exo -60.65 -23.04 74.9 Favored 'Trans proline' 0 N--CA 1.47 0.116 0 C-N-CA 122.898 2.399 . . . . 10.0 112.637 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -94.02 6.13 49.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.5 tp -137.67 113.18 9.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 10.0 110.932 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.497 HH11 ' HB2' ' A' ' 151' ' ' PRO . 69.9 mtt180 -127.38 168.35 14.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.331 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m120 59.41 36.98 23.33 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.121 -0.491 . . . . 10.0 112.055 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.91 94.99 5.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.168 0.509 . . . . 10.0 110.274 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -124.22 157.73 34.12 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.464 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.47 160.28 25.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.005 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 29.6 t70 -70.94 145.32 50.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.968 0.413 . . . . 10.0 110.706 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -25.46 67.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.641 -0.709 . . . . 10.0 112.455 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.71 -42.17 4.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.046 0.758 . . . . 10.0 113.046 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.712 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 36.3 t-20 -124.3 125.19 43.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.031 0.444 . . . . 10.0 112.16 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.91 -14.27 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.245 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.2 mt -82.79 -1.02 50.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.236 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.461 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 43.2 t -115.39 122.46 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.615 -0.513 . . . . 10.0 109.615 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.613 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 44.9 m0 -106.66 146.7 30.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.816 0.341 . . . . 10.0 111.341 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -126.78 118.74 25.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.053 -1.091 . . . . 10.0 108.053 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.56 156.38 45.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.02 0.438 . . . . 10.0 111.909 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.9 mt -105.51 118.16 35.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.057 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 19.7 tp -88.43 131.63 34.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.761 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -110.65 93.98 18.23 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.706 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 3.2 Cg_exo -76.94 142.03 21.82 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.492 2.128 . . . . 10.0 110.025 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.16 -20.41 17.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.047 0.451 . . . . 10.0 111.329 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 7.8 tp-100 -65.88 129.18 94.24 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.045 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 19.7 Cg_exo -67.49 143.33 62.67 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.693 2.262 . . . . 10.0 110.86 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.431 ' HG3' ' O ' ' A' ' 136' ' ' ARG . 43.5 Cg_endo -97.93 14.03 32.27 Favored 'Cis proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.676 -1.385 . . . . 10.0 111.955 -0.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -61.17 -22.08 64.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.773 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -68.07 -8.49 38.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.212 0.819 . . . . 10.0 113.212 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.534 ' HB3' HD21 ' A' ' 144' ' ' LEU . 86.0 mt -75.07 -27.51 59.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.282 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 143' ' ' THR . 7.9 mmtt -138.28 -167.6 2.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.372 -0.377 . . . . 10.0 110.767 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -131.38 156.23 45.9 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -124.71 133.32 53.24 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.85 0.357 . . . . 10.0 111.163 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -88.14 134.12 33.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.055 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 pp -119.9 149.85 41.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.667 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.76 118.49 33.74 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.488 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.756 HG23 HG12 ' A' ' 67' ' ' ILE . 37.5 mt -102.9 115.21 44.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -108.66 112.72 25.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.935 0.397 . . . . 10.0 111.076 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -89.63 130.0 44.86 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.024 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 75.3 Cg_endo -80.96 148.48 17.26 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.515 2.143 . . . . 10.0 110.82 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -58.76 -21.12 54.9 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 122.501 2.134 . . . . 10.0 112.7 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -87.46 12.13 13.0 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.294 -0.254 . . . . 10.0 111.654 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.626 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 36.2 t80 -59.88 139.89 90.23 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.063 -0.347 . . . . 10.0 110.063 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.502 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 90.1 Cg_endo -100.02 28.05 14.68 Favored 'Cis proline' 0 N--CA 1.457 -0.644 0 C-N-CA 124.193 -1.17 . . . . 10.0 113.057 0.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -73.71 -24.1 59.88 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -118.85 140.88 29.16 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 114.996 -1.002 . . . . 10.0 108.642 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.77 139.15 36.1 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 2.272 . . . . 10.0 113.378 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.507 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 57.0 Cg_endo -73.86 128.97 12.9 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.597 2.198 . . . . 10.0 110.678 178.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.9 mtm -80.74 118.28 22.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.923 0.392 . . . . 10.0 111.287 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.756 HG12 HG23 ' A' ' 54' ' ' ILE . 52.5 mt -116.25 121.7 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.826 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -135.74 158.86 43.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.251 -0.432 . . . . 10.0 110.094 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -85.15 139.89 31.35 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.271 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.26 -28.52 14.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.185 0.517 . . . . 10.0 109.839 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 146' ' ' PHE . 0.5 OUTLIER -89.91 156.34 18.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.37 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -79.41 97.81 6.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.837 0.351 . . . . 10.0 111.634 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.2 tt -108.29 115.25 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.163 0.506 . . . . 10.0 111.195 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 83.6 5.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.233 0.54 . . . . 10.0 110.263 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.42 ' CD2' ' HD2' ' A' ' 76' ' ' PRO . 20.0 t-80 -123.76 137.63 29.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.804 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.496 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 19.4 Cg_endo -60.74 -5.69 4.89 Favored 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 123.329 2.686 . . . . 10.0 113.941 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.758 HD21 ' HB3' ' A' ' 115' ' ' ASN . 17.9 m120 -121.09 18.35 11.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.935 0.398 . . . . 10.0 110.415 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.422 HG22 HG22 ' A' ' 84' ' ' ILE . 59.9 t -133.58 137.48 52.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.822 -0.627 . . . . 10.0 109.465 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -85.55 167.31 15.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.325 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.1 -29.19 67.18 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 113.232 0.826 . . . . 10.0 113.232 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.425 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -82.76 -20.65 35.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.107 0.479 . . . . 10.0 110.422 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.1 17.39 10.19 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.257 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -88.19 152.3 22.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.597 0.237 . . . . 10.0 110.458 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.422 HG22 HG22 ' A' ' 78' ' ' VAL . 19.3 pt -135.15 -174.6 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.518 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.723 ' HB2' HD11 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -138.25 101.5 4.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.72 -0.673 . . . . 99.99 109.198 178.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.762 ' HG ' HG22 ' A' ' 88' ' ' ILE . 10.6 tp -112.65 111.78 51.5 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 121.169 0.509 . . . . 10.0 110.737 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.77 -27.56 53.03 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.33 2.687 . . . . 10.0 113.679 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.762 HG22 ' HG ' ' A' ' 86' ' ' LEU . 14.4 tt -68.73 -23.69 27.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.525 HG12 ' HB3' ' A' ' 86' ' ' LEU . 24.2 pt -116.87 12.29 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.928 -0.309 . . . . 10.0 111.474 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 78.3 p -67.45 145.6 54.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.284 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 p -61.12 -17.68 54.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.295 0.48 . . . . 10.0 112.295 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -97.34 -7.0 32.97 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -142.66 39.68 1.53 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 122.236 -0.29 . . . . 10.0 111.589 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -97.94 136.69 37.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.201 0.524 . . . . 10.0 112.128 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 97' ' ' CYS . 11.8 ptpt -136.19 125.42 15.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.575 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.57 -14.85 27.8 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.644 2.896 . . . . 10.0 114.221 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -76.16 -11.82 59.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.781 0.324 . . . . 10.0 111.398 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.533 ' OG1' ' HG3' ' A' ' 95' ' ' LYS . 1.5 m -82.1 134.79 35.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.812 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.567 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 54.0 mtpt -103.34 167.62 9.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.37 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.8 m -59.87 -35.78 75.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.937 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.448 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.77 -34.89 75.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.556 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -75.87 -32.57 59.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.094 0.473 . . . . 10.0 110.361 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.39 -47.33 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.136 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.76 -29.96 71.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.451 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 10.5 tt0 -64.32 -50.25 68.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.655 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.3 75.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.666 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 111' ' ' VAL . 66.3 tp -62.91 -47.98 80.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.333 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -56.83 -35.51 68.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.898 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 105' ' ' GLU . 48.5 t -62.67 -51.95 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.831 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 110' ' ' LEU . 16.3 mt -67.61 -27.4 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.358 0.503 . . . . 10.0 112.358 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 107' ' ' LEU . 54.4 t -70.26 -50.88 43.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.73 0.3 . . . . 10.0 110.419 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -77.06 -34.17 57.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.661 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 114' ' ' PRO . 24.1 mmm180 -114.56 98.46 49.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.846 -0.428 . . . . 10.0 109.846 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 113' ' ' ARG . 37.6 Cg_endo -65.72 155.21 70.32 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.604 2.202 . . . . 10.0 112.472 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.758 ' HB3' HD21 ' A' ' 77' ' ' ASN . 52.8 t-20 -100.34 119.3 38.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.755 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.8 pt -97.47 4.12 9.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 119' ' ' PRO . 9.9 mtm180 -107.22 -55.29 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.093 0.473 . . . . 10.0 109.805 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -119.25 74.84 15.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.157 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 117' ' ' ARG . 89.5 Cg_endo -96.37 179.01 0.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.071 2.514 . . . . 10.0 112.034 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 85' ' ' CYS . 7.8 mp -106.26 -24.37 12.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.918 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.496 ' HB2' ' HA ' ' A' ' 76' ' ' PRO . 14.0 mtp180 -124.12 106.19 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 98.2 mtp -69.23 -28.87 66.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.518 . . . . 10.0 110.734 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.475 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 21.8 p-10 -65.04 -50.66 65.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.343 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 mp -71.26 -35.72 71.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.765 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.83 -48.27 79.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.916 0.389 . . . . 10.0 110.475 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.02 -38.78 89.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.291 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.573 ' HG ' ' HB2' ' A' ' 135' ' ' PHE . 53.9 tp -58.08 -48.04 81.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.947 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.4 tp -65.86 -38.08 87.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.385 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.4 m -68.52 -32.25 72.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.686 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -88.03 -52.92 5.0 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -136.29 98.06 11.57 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.743 0.306 . . . . 10.0 110.832 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.94 -35.7 65.0 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.84 2.36 . . . . 10.0 111.824 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -67.26 -43.66 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.152 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.6 tp -63.51 -41.49 98.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.573 ' HB2' ' HG ' ' A' ' 127' ' ' LEU . 81.8 t80 -65.82 -43.42 88.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.695 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 44' ' ' PRO . 44.7 ttp85 -61.28 -47.25 86.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.553 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -43.35 96.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.97 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -60.82 -47.45 86.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.737 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.05 66.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.233 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.52 -48.46 80.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.508 -0.314 . . . . 10.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 4.7 tt0 -60.92 -45.94 92.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.075 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -59.45 -45.19 92.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.388 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.55 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 16.2 m -61.82 -40.29 94.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.117 0.484 . . . . 10.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' A' ' 47' ' ' LEU . 90.2 mt -89.51 14.01 12.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.68 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 52.6 ttt180 -122.23 -50.8 2.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.979 0.418 . . . . 10.0 110.673 -179.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 71' ' ' THR . 52.1 m-85 -119.3 35.82 4.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.059 -0.518 . . . . 10.0 109.981 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -122.82 140.75 13.44 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.699 -0.763 . . . . 10.0 112.651 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 26.3 t -67.5 141.79 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -56.74 139.71 49.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.647 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.445 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 11.3 tpt180 -68.46 118.3 58.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.397 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.497 ' HB2' HH11 ' A' ' 22' ' ' ARG . 38.3 Cg_exo . . . . . 0 C--O 1.251 1.171 0 C-N-CA 123.003 2.469 . . . . 10.0 111.764 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.885 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.3 ptt? . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.836 0.351 . . . . 10.0 110.672 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -97.76 130.68 44.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.077 0.465 . . . . 10.0 111.75 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -121.46 164.15 18.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' B' ' 66' ' ' THR . 42.4 m-85 -116.89 127.64 54.46 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.865 0.364 . . . . 10.0 111.158 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.457 ' HB ' HG13 ' B' ' 13' ' ' ILE . 22.0 t -109.98 115.44 49.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.916 -0.772 . . . . 10.0 108.916 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -107.26 133.03 52.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.771 0.319 . . . . 10.0 111.032 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 20.5 p -89.62 -171.83 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.245 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 78.8 mt -81.07 -17.69 49.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.125 0.417 . . . . 10.0 112.125 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.412 HG21 ' H ' ' A' ' 123' ' ' ASP . 16.6 p -94.73 1.94 55.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 10.0 111.814 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.5 -15.79 61.56 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.609 -0.805 . . . . 10.0 112.759 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -60.5 113.12 2.26 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.81 -0.441 . . . . 10.0 109.81 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -110.42 121.24 44.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.839 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.457 HG13 ' HB ' ' B' ' 5' ' ' VAL . 25.2 pt -110.49 148.62 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.052 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.37 148.72 22.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.879 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' B' ' 29' ' ' LYS . 14.7 tp -144.1 127.75 17.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.957 0.408 . . . . 10.0 111.159 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -96.49 108.6 21.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.49 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.452 HG12 ' NZ ' ' B' ' 29' ' ' LYS . 16.0 m -135.92 -175.99 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.704 -178.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.454 ' HG3' ' HD2' ' B' ' 19' ' ' PRO . 0.9 OUTLIER -134.35 157.11 78.2 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.235 -1.024 . . . . 10.0 108.235 179.024 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.454 ' HD2' ' HG3' ' B' ' 18' ' ' GLU . 76.1 Cg_exo -52.6 -35.37 67.16 Favored 'Trans proline' 0 N--CA 1.474 0.339 0 C-N-CA 122.571 2.181 . . . . 10.0 113.161 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.0 p -75.1 -0.16 18.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.799 0.666 . . . . 10.0 112.799 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.72 129.05 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.944 0.402 . . . . 10.0 111.416 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.49 ' HB ' ' HG3' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -77.66 145.51 36.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 178.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.0 mm -54.83 -38.08 43.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 10.0 111.793 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' B' ' 52' ' ' ASP . 0.0 OUTLIER -61.35 -34.76 75.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.869 0.366 . . . . 10.0 110.832 178.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.81 -36.92 70.41 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.152 -0.684 . . . . 10.0 109.152 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.57 -43.08 96.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.293 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -59.7 -40.2 87.13 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.608 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.86 92.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.143 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.688 ' HB3' HD11 ' B' ' 15' ' ' LEU . 96.5 mttt -66.48 -35.6 80.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.786 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.48 -41.06 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.538 -0.541 . . . . 10.0 109.538 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.44 -30.11 68.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.339 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.59 -40.81 84.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.46 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.486 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 4.5 ptpt -93.69 -45.66 7.6 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.337 0.866 . . . . 10.0 113.337 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -85.01 -63.76 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 10.0 111.378 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.64 -13.73 6.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.354 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 mt -59.75 121.35 57.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 122.306 0.242 . . . . 10.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 38.1 Cg_exo -59.37 139.58 90.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.906 2.404 . . . . 10.0 111.585 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.6 Cg_exo -54.62 -28.99 58.65 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.366 2.711 . . . . 10.0 112.986 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.83 -26.6 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.082 0.468 . . . . 10.0 110.73 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.546 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 10.7 mt-30 -101.68 9.59 40.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.074 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -99.89 109.83 22.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.655 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 28.3 ttt180 -111.29 92.08 3.9 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.426 ' HB3' HD12 ' B' ' 50' ' ' LEU . 53.0 mt -81.3 121.62 26.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.843 -0.617 . . . . 10.0 112.051 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.3 mm -116.38 125.05 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.16 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.625 ' HB3' HD21 ' B' ' 50' ' ' LEU . 87.2 t80 -139.74 131.95 28.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.266 -0.425 . . . . 10.0 109.953 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.59 31.6 21.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.516 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.51 7.19 85.29 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.801 -0.636 . . . . 10.0 113.246 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -121.84 153.55 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 10.0 111.179 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -87.41 128.13 35.21 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' B' ' 45' ' ' PHE . 65.5 mt -75.41 115.94 15.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.196 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.83 132.38 41.49 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.246 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' B' ' 24' ' ' GLU . 3.6 m-20 -52.62 -40.48 62.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.618 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.79 -4.21 85.03 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.892 -0.67 . . . . 10.0 114.648 -178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.492 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 0.4 OUTLIER -98.87 167.35 10.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 117.51 0.655 . . . . 10.0 111.475 -179.364 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -106.83 172.63 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.537 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 85.6 mt -67.29 -39.9 86.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.217 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -24.93 67.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.75 0.309 . . . . 10.0 111.572 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.492 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 66.9 m-20 -63.65 -30.69 71.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.2 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -109.23 11.78 25.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.761 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 61.91 39.87 13.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.536 0.684 . . . . 10.0 110.927 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.537 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 56.2 mt -87.35 104.33 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.814 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -105.0 -171.23 1.88 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.953 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.885 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 16.1 pttp -70.48 161.09 31.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.491 0.186 . . . . 10.0 110.99 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 70.65 5.74 5.54 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -84.6 149.66 25.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.722 0.296 . . . . 10.0 110.617 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 7.6 m -114.39 122.16 45.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.992 0.425 . . . . 10.0 110.827 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 46.2 mt -99.24 145.38 27.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.04 -0.527 . . . . 10.0 109.931 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -99.1 119.45 37.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 10.0 109.795 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.4 tp -100.82 105.37 16.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.198 0.523 . . . . 10.0 111.597 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.655 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 57.8 t -91.84 127.18 44.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.434 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 54.5 tp -75.64 109.52 9.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.546 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 11.4 ttp85 -90.17 87.5 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.034 0.445 . . . . 10.0 110.773 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 79.6 mt -74.39 97.2 3.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.359 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -83.94 80.43 9.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.313 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.616 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . 131.99 131.26 3.21 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.966 -0.635 . . . . 10.0 111.875 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.7 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 37.0 m . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.051 -0.976 . . . . 99.99 110.168 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.563 0.209 . . . . 10.0 111.563 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -58.8 -38.11 77.83 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.23 -47.52 72.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.362 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -69.97 -39.34 76.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.581 -0.281 . . . . 10.0 111.039 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 83.9 t -56.88 -47.66 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.993 0.425 . . . . 10.0 110.57 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.35 -42.14 92.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.55 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -42.98 94.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.727 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.33 -37.72 88.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.461 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.73 -48.75 79.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.08 -32.48 74.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.523 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.37 -47.66 78.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.489 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.816 HD21 ' HB3' ' A' ' 101' ' ' CYS . 37.4 mt -76.73 -33.97 58.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.561 -0.745 . . . . 10.0 112.595 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -69.62 -22.96 63.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.93 0.344 . . . . 10.0 111.93 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -75.97 -31.56 59.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.808 179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -154.47 83.69 4.03 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.164 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 4.3 Cg_exo -77.54 147.31 25.1 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 123.124 2.549 . . . . 10.0 112.538 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 39.6 Cg_exo -62.25 147.89 94.19 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.756 2.304 . . . . 10.0 111.019 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 53.0 Cg_exo -57.28 -25.27 64.16 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 123.042 2.495 . . . . 10.0 113.247 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' A' ' 105' ' ' GLU . 44.0 p90 -95.91 6.07 49.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.4 tp -133.49 117.75 17.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.743 0.306 . . . . 10.0 110.938 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.437 HH22 ' C ' ' A' ' 151' ' ' PRO . 24.9 mtm180 -132.16 166.32 22.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.486 -0.325 . . . . 10.0 110.879 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 61.33 40.36 14.37 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.549 0.53 . . . . 10.0 111.57 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.0 tp -86.55 107.82 18.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.085 0.469 . . . . 10.0 110.81 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -146.4 157.52 43.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.42 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -79.6 162.07 25.53 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 13.4 t70 -66.0 150.54 48.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.095 0.474 . . . . 10.0 110.834 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.1 -27.23 68.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.584 -0.734 . . . . 10.0 111.991 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.97 -1.27 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.125 0.787 . . . . 10.0 113.125 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 20.2 t-20 -146.09 124.43 12.31 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.653 -0.419 . . . . 10.0 111.897 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.9 -16.27 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.063 0.458 . . . . 10.0 110.694 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.6 mt -86.76 1.71 51.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.168 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.0 t -123.24 109.92 24.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.635 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 47.0 m0 -98.82 147.66 24.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.024 0.44 . . . . 10.0 111.073 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -127.89 128.96 46.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.238 -1.023 . . . . 10.0 108.238 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -152.07 164.22 37.69 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.848 0.356 . . . . 10.0 111.487 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.2 mt -109.16 117.78 35.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.723 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.542 ' HB2' HD23 ' A' ' 52' ' ' LEU . 33.3 tp -86.2 134.44 33.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.6 86.92 30.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.255 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.3 137.19 30.56 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.507 2.138 . . . . 10.0 110.253 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.28 -19.35 24.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.963 0.411 . . . . 10.0 111.693 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.5 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.2 tp-100 -71.62 134.82 83.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.366 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 16.7 Cg_exo -69.12 145.9 62.4 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.526 2.151 . . . . 10.0 110.904 178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 65.0 Cg_endo -96.39 13.17 39.08 Favored 'Cis proline' 0 N--CA 1.459 -0.557 0 C-N-CA 123.623 -1.407 . . . . 10.0 111.915 -0.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -65.14 -13.91 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.885 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.449 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 0.3 OUTLIER -75.11 -3.93 35.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.781 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -79.07 -35.29 42.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.968 0.358 . . . . 10.0 111.968 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 150' ' ' ARG . 26.5 mmtt -134.87 -167.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.868 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.55 160.18 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.51 127.71 46.87 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.028 -0.269 . . . . 10.0 111.115 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -80.75 130.32 35.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.2 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.542 HD23 ' HB2' ' A' ' 38' ' ' LEU . 3.4 pp -120.13 154.82 34.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.736 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 121.51 35.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.428 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.812 HG23 HG12 ' A' ' 67' ' ' ILE . 44.9 mt -101.65 114.32 40.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.658 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.37 114.23 28.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.814 0.34 . . . . 10.0 110.923 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.52 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 84.7 m-85 -92.01 125.78 55.64 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.89 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 56' ' ' PHE . 7.5 Cg_exo -74.89 151.6 40.29 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.78 2.32 . . . . 10.0 111.1 179.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -62.24 -17.83 59.09 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.647 2.231 . . . . 10.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.1 6.59 45.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.455 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 39.6 t80 -54.91 139.82 61.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 110.306 -0.257 . . . . 10.0 110.306 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.52 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 65.8 Cg_endo -94.92 23.91 25.65 Favored 'Cis proline' 0 C--N 1.348 0.531 0 C-N-CA 124.076 -1.218 . . . . 10.0 113.666 0.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -76.28 -15.73 59.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.583 0.706 . . . . 10.0 109.705 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.82 132.09 24.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.083 -0.962 . . . . 10.0 108.985 178.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.83 139.38 74.14 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.972 2.448 . . . . 10.0 112.855 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.45 125.96 14.78 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.858 2.372 . . . . 10.0 111.171 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.3 mtm -83.87 91.73 7.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.837 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.812 HG12 HG23 ' A' ' 54' ' ' ILE . 29.4 mt -97.98 127.24 50.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.121 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 6.1 ptmm? -140.42 160.31 40.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -84.47 137.09 33.55 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.775 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -35.57 16.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.26 165.69 13.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.494 -0.775 . . . . 10.0 109.57 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -90.43 112.19 23.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.011 0.434 . . . . 10.0 111.691 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.0 tt -113.3 116.6 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.831 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -77.53 87.84 3.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.458 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -132.23 134.95 25.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.02 -0.537 . . . . 10.0 109.916 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.542 ' HG3' HD22 ' A' ' 128' ' ' LEU . 19.1 Cg_endo -58.42 -12.59 14.09 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.326 2.684 . . . . 10.0 114.127 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -114.34 19.96 15.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.865 0.364 . . . . 10.0 110.785 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -137.15 141.48 40.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.833 -0.802 . . . . 10.0 108.833 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.61 171.34 8.73 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.271 -0.172 . . . . 10.0 110.547 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.17 -29.43 67.44 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.727 0.64 . . . . 10.0 112.727 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -76.89 -42.18 40.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 10.0 109.866 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.82 22.6 1.58 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.508 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -80.36 151.02 29.65 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.711 0.291 . . . . 10.0 110.671 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.414 HD12 HD13 ' A' ' 107' ' ' LEU . 1.4 pt -141.53 129.39 21.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.866 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 1.023 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 33.4 m -84.0 74.69 10.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 99.99 110.826 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.572 ' HB2' HG12 ' A' ' 89' ' ' ILE . 38.5 mt -89.49 117.18 67.94 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.219 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.51 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 40.3 Cg_exo -58.59 -29.35 88.82 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 122.603 2.202 . . . . 10.0 112.05 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.628 HD13 ' HA ' ' A' ' 103' ' ' VAL . 18.3 tt -67.55 -26.57 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.572 HG12 ' HB2' ' A' ' 86' ' ' LEU . 46.3 pt -104.56 1.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 122.155 -0.341 . . . . 10.0 111.617 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.5 p -72.28 140.48 48.61 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -20.41 38.13 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -87.69 -7.9 56.8 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.377 0.51 . . . . 10.0 112.377 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 87' ' ' PRO . 45.2 m-80 -138.81 12.09 2.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -81.38 128.34 33.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.256 0.55 . . . . 10.0 111.972 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.512 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 4.1 mppt? -124.95 123.17 25.51 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.307 -0.861 . . . . 10.0 108.814 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 39.9 Cg_exo -58.66 -17.52 35.84 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.227 2.618 . . . . 10.0 113.368 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.8 OUTLIER -77.44 -13.91 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.357 . . . . 10.0 111.678 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.24 137.65 35.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.794 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -98.76 162.9 12.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.5 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.6 m -58.22 -34.07 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 10.0 112.138 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.816 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.64 -31.59 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 10.0 111.604 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -79.26 -30.61 43.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.064 0.459 . . . . 10.0 110.313 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.628 ' HA ' HD13 ' A' ' 88' ' ' ILE . 51.0 t -70.08 -46.66 71.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.396 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.13 -28.59 69.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.693 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.462 ' HA ' ' OH ' ' A' ' 20' ' ' TYR . 12.0 tt0 -68.41 -44.63 74.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.952 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.24 83.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.304 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 86' ' ' LEU . 42.9 tp -62.14 -44.43 96.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.731 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -56.97 -37.32 71.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.053 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.4 t -65.33 -45.04 94.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.506 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.31 -35.48 81.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.298 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.0 t -71.11 -47.2 62.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.199 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -72.68 -35.85 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.817 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 113' ' ' ARG . 14.7 mmm180 -119.68 98.75 49.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.759 0.314 . . . . 10.0 110.186 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.422 ' HB3' ' HG2' ' A' ' 76' ' ' PRO . 20.8 Cg_exo -66.73 118.89 5.9 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.677 2.252 . . . . 10.0 111.944 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -70.1 103.75 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.834 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 20.5 pt -81.15 -3.74 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 10.0 112.009 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -79.68 -59.43 2.74 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -121.72 85.22 44.14 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.716 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -90.54 173.81 3.06 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.844 2.362 . . . . 10.0 111.45 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.4 mp -98.7 -24.28 15.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.076 0.465 . . . . 10.0 110.142 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 15.7 mtp180 -132.95 106.82 7.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.151 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -62.43 -30.8 71.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.583 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.447 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 13.8 p-10 -68.92 -34.93 76.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.421 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.593 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.7 mp -81.21 -40.9 23.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.522 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.48 93.7 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 27.1 t70 -60.69 -56.1 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.186 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.621 HD11 HD23 ' A' ' 134' ' ' LEU . 44.2 tp -55.95 -40.27 72.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.61 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.542 HD22 ' HG3' ' A' ' 76' ' ' PRO . 35.5 tp -62.06 -34.89 77.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.651 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.7 m -88.65 -31.07 18.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.881 0.372 . . . . 10.0 111.423 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 22.0 mm-40 -72.37 -53.12 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.03 0.443 . . . . 10.0 110.526 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -144.05 92.97 6.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.145 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.79 -32.74 97.7 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 123.011 2.474 . . . . 10.0 112.187 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 137' ' ' LYS . 41.2 tp10 -68.35 -46.94 68.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.16 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.621 HD23 HD11 ' A' ' 127' ' ' LEU . 20.9 tp -61.08 -42.72 99.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.943 0.402 . . . . 10.0 110.207 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.593 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 81.7 t80 -66.87 -41.48 87.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.951 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 48.7 ttp85 -57.75 -38.65 75.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.075 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 133' ' ' GLU . 63.1 mttm -62.12 -50.42 71.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.857 0.36 . . . . 10.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.91 -41.38 95.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.818 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.81 -34.51 76.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -63.6 -49.89 71.57 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.197 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.67 -41.77 95.74 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.808 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -42.22 91.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.877 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.3 m -64.68 -37.45 87.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.182 0.515 . . . . 10.0 110.113 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 81.3 mt -93.2 25.68 3.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.459 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -136.68 -39.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.931 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -128.76 34.96 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.554 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -119.0 150.38 17.96 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.157 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 25.8 t -81.11 143.78 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -56.67 128.69 37.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.908 0.385 . . . . 10.0 111.516 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.514 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 20.3 ttt180 -94.08 110.73 49.84 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.606 -0.725 . . . . 10.0 111.04 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.437 ' C ' HH22 ' A' ' 22' ' ' ARG . 93.7 Cg_endo . . . . . 0 C--O 1.247 0.932 0 C-N-CA 123.187 2.591 . . . . 10.0 111.111 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.625 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.0 ptt? . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.799 0.333 . . . . 10.0 110.532 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -98.88 130.29 45.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.852 0.358 . . . . 10.0 111.904 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.6 pt -121.88 166.93 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.641 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' B' ' 66' ' ' THR . 97.6 m-85 -119.34 122.76 42.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.631 -0.258 . . . . 10.0 110.986 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.662 ' HB ' HG13 ' B' ' 13' ' ' ILE . 38.3 t -109.48 117.76 55.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -109.9 126.96 54.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.185 0.517 . . . . 10.0 111.417 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.8 p -92.73 166.9 12.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.111 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.5 mt -76.08 5.67 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 10.0 111.364 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.84 8.4 34.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.779 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.27 20.01 79.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.256 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -105.01 118.21 35.95 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.97 126.01 51.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.302 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.662 HG13 ' HB ' ' B' ' 5' ' ' VAL . 13.6 pt -121.39 140.19 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.975 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.76 143.11 26.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.945 -0.571 . . . . 10.0 109.959 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.55 145.27 49.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.842 0.354 . . . . 10.0 111.275 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -104.47 98.49 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.119 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -128.51 169.34 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.36 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' B' ' 56' ' ' LEU . 15.1 mm-40 -116.97 157.17 47.16 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -58.44 -20.83 50.73 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.696 2.264 . . . . 10.0 113.007 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.87 10.68 38.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.883 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -82.09 151.3 27.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.711 0.291 . . . . 10.0 111.107 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.448 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -93.79 148.58 21.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.484 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 50.7 mm -59.73 -38.82 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.579 -0.282 . . . . 10.0 111.494 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 1.0 OUTLIER -60.58 -34.03 73.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.332 0.587 . . . . 10.0 110.321 179.207 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -75.26 -38.79 60.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.049 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 22' ' ' THR . 92.3 t -60.92 -43.02 94.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.775 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 91.2 mttt -58.53 -42.13 87.1 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.484 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.27 90.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.146 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.29 -31.04 71.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.746 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.5 mt -72.14 -44.23 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -64.23 -31.44 72.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.062 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.13 -37.17 76.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.663 -0.699 . . . . 10.0 111.909 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -104.74 -34.19 8.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.547 0.943 . . . . 10.0 113.547 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -91.55 -33.52 15.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.06 1.22 70.21 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.571 -0.823 . . . . 10.0 112.721 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -84.14 119.84 73.84 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 122.769 -0.254 . . . . 10.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 47.0 Cg_exo -58.01 135.92 71.74 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.108 2.538 . . . . 10.0 112.565 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 65.8 Cg_exo -54.95 -29.76 65.88 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.655 2.904 . . . . 10.0 113.495 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.7 -22.8 65.25 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.235 0.541 . . . . 10.0 110.855 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.415 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 17.1 mt-30 -102.29 7.85 40.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.244 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -100.66 109.33 21.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.806 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.745 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 24.9 ttt180 -106.09 90.98 3.53 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.564 ' HB3' HD12 ' B' ' 50' ' ' LEU . 29.2 mt -79.71 121.73 25.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.605 -179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.1 130.9 70.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.509 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.69 ' HB3' HD21 ' B' ' 50' ' ' LEU . 81.5 t80 -143.18 127.45 17.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 29.2 18.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.071 0.462 . . . . 10.0 111.372 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.21 -0.07 84.9 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.953 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -112.12 158.25 19.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.902 0.351 . . . . 10.0 110.72 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -90.72 134.76 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' B' ' 45' ' ' PHE . 69.1 mt -80.49 116.61 20.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.838 0.351 . . . . 10.0 111.55 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -77.44 129.63 35.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.264 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.473 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 5.1 m-20 -49.86 -45.27 50.26 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.442 0.904 . . . . 10.0 113.442 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.27 -9.77 81.27 Favored Glycine 0 C--N 1.329 0.159 0 C-N-CA 121.016 -0.612 . . . . 10.0 113.765 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -86.88 162.9 17.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.034 0.445 . . . . 10.0 111.269 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 9.1 p -108.9 166.61 10.69 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.5 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -63.54 -27.3 69.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 10.0 111.169 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -14.7 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.531 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -73.04 -38.56 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.123 0.487 . . . . 10.0 110.556 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.441 ' HB2' HG13 ' B' ' 61' ' ' ILE . 77.2 m-85 -98.48 2.9 48.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.703 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 62.24 44.59 7.49 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.748 0.655 . . . . 10.0 110.807 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' B' ' 59' ' ' TYR . 52.8 mt -85.24 112.87 22.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.576 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -94.79 -172.96 2.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.859 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.625 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 20.3 pttp -76.67 161.79 28.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 72.85 -7.41 1.47 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.733 0.642 . . . . 10.0 112.733 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.2 m -65.26 140.0 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.841 0.353 . . . . 10.0 111.176 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 3.2 m -103.88 120.08 40.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.415 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 33.0 mt -99.67 150.52 22.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.261 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.58 122.18 43.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.815 -0.439 . . . . 10.0 109.815 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 40.2 tp -106.93 112.49 25.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.051 0.453 . . . . 10.0 111.998 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.745 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 26.1 t -97.28 134.64 34.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.152 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 tp -88.22 115.1 25.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.816 0.341 . . . . 10.0 111.065 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.415 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 3.4 tmm_? -91.5 123.87 35.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.919 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.88 159.07 16.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.721 0.296 . . . . 10.0 111.069 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 74' ' ' ARG . 32.6 ttp180 -147.94 75.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.597 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 167.15 30.35 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.96 -0.638 . . . . 10.0 112.286 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 1.023 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 3.2 m . . . . . 0 C--O 1.246 0.914 0 N-CA-C 109.324 -0.621 . . . . 99.99 109.324 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.737 0.303 . . . . 10.0 111.27 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -34.97 71.57 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.9 ttm -55.51 -45.4 77.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.594 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -71.02 -38.54 72.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.587 -0.279 . . . . 10.0 111.019 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.9 -44.66 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.08 -39.6 84.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.08 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -64.79 -46.81 80.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.631 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.32 -37.98 89.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.437 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.6 tp -66.01 -42.35 89.83 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -48.18 82.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.801 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.39 -51.33 70.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.013 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.4 mt -68.12 -24.63 65.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.919 -0.582 . . . . 10.0 112.318 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -76.71 -28.87 56.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.034 0.445 . . . . 10.0 110.158 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -82.67 -34.39 27.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.014 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -129.21 75.66 79.93 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.002 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.16 130.15 10.95 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.546 2.164 . . . . 10.0 112.278 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HG2' ' CB ' ' A' ' 21' ' ' LEU . 36.9 Cg_endo -68.07 147.52 73.62 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.294 1.996 . . . . 10.0 111.23 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.97 -22.75 70.31 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 123.006 2.471 . . . . 10.0 113.393 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -92.59 6.89 45.62 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' CB ' ' HG2' ' A' ' 18' ' ' PRO . 12.5 tp -134.43 122.27 22.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.817 0.342 . . . . 10.0 110.56 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -124.81 161.67 25.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.895 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 53.48 45.75 27.62 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.778 0.674 . . . . 10.0 111.932 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 tp -79.95 100.1 7.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.495 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -136.78 172.06 13.57 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.9 -0.591 . . . . 10.0 109.973 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.13 173.02 10.76 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.532 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 15.9 t70 -71.8 158.26 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -60.59 -38.71 85.55 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.51 0.559 . . . . 10.0 112.51 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.97 20.36 3.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 13.6 t-20 -142.11 130.04 21.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.934 0.397 . . . . 10.0 111.239 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.22 -14.68 9.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.251 0.548 . . . . 10.0 110.324 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.24 21.34 10.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.122 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.532 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 80.8 t -137.78 129.0 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.935 -0.394 . . . . 10.0 109.935 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.684 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 32.3 m0 -105.13 150.51 24.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.046 0.45 . . . . 10.0 111.438 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -124.11 124.62 42.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.957 -1.127 . . . . 10.0 107.957 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.33 152.52 29.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.6 mt -106.97 114.6 28.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.454 -0.794 . . . . 10.0 109.121 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 tp -82.37 131.15 35.23 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.051 -0.352 . . . . 10.0 110.051 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 mp -115.06 90.36 23.14 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.1 157.54 57.36 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.484 2.123 . . . . 10.0 110.481 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -107.0 -24.84 11.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.11 0.481 . . . . 10.0 110.665 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.434 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 7.7 tp-100 -62.14 128.74 91.37 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.559 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 16.9 Cg_exo -70.54 141.59 42.45 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.053 2.502 . . . . 10.0 111.109 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 71.1 Cg_endo -99.18 17.69 26.14 Favored 'Cis proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.839 -1.317 . . . . 10.0 112.322 -0.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -60.94 -29.29 69.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 10.0 111.496 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -0.29 6.85 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.51 -13.46 54.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.752 0.31 . . . . 10.0 110.746 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 149' ' ' ASP . 20.5 mmtm -144.92 -168.39 2.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.764 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -132.18 151.77 51.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.667 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -124.73 120.27 31.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.79 0.328 . . . . 10.0 111.257 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -80.67 135.28 36.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.423 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -123.57 150.38 44.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.407 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 53' ' ' ARG . 24.1 ttt180 -119.41 115.36 23.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.085 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.684 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 53.5 mt -95.7 120.03 44.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.24 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -105.41 114.88 29.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.253 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -89.77 127.9 52.4 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 56.5 Cg_endo -71.24 150.67 59.61 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.375 2.05 . . . . 10.0 110.99 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.55 -16.43 53.78 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.572 2.181 . . . . 10.0 111.749 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -97.58 17.31 18.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.24 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 61' ' ' PRO . 15.0 t80 -63.34 141.67 97.82 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 109.861 -0.422 . . . . 10.0 109.861 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 60' ' ' TYR . 67.1 Cg_endo -98.01 24.3 21.69 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 124.261 -1.141 . . . . 10.0 113.061 0.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -77.08 -9.6 58.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 10.0 109.379 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.3 OUTLIER -128.8 141.46 41.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 114.761 -1.109 . . . . 10.0 109.024 179.285 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.553 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 55.5 Cg_endo -70.62 141.74 42.45 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.746 2.297 . . . . 10.0 113.086 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.51 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 74.3 Cg_endo -77.78 137.52 16.07 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.557 2.171 . . . . 10.0 111.185 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 71.7 mtm -93.58 117.72 30.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 10.0 110.874 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.647 HG12 HG23 ' A' ' 54' ' ' ILE . 45.4 mt -111.9 125.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.354 -0.384 . . . . 10.0 110.231 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 5.1 ptmm? -131.36 152.98 50.11 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.031 -0.359 . . . . 10.0 110.031 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -85.14 133.22 34.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.51 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.13 -13.41 28.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.709 0.766 . . . . 10.0 109.342 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 m -106.69 140.71 39.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.133 -0.94 . . . . 10.0 109.93 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -70.07 106.46 3.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.561 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.1 tt -111.79 128.67 68.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.064 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -86.99 77.99 9.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.971 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -123.53 134.23 25.11 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.219 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.633 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 27.2 Cg_endo -61.43 -15.83 43.47 Favored 'Trans proline' 0 N--CA 1.479 0.647 0 C-N-CA 123.307 2.671 . . . . 10.0 113.68 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -111.96 24.93 12.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.809 0.338 . . . . 10.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 84' ' ' ILE . 92.8 t -136.25 138.66 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.711 -0.478 . . . . 10.0 109.711 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -79.66 158.14 27.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.045 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.39 -31.65 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -80.78 -4.99 56.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.88 0.326 . . . . 10.0 111.88 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.86 13.57 49.58 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.527 -0.844 . . . . 10.0 111.965 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -83.47 142.41 30.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.761 -0.459 . . . . 10.0 109.761 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.684 HD12 HD13 ' A' ' 86' ' ' LEU . 17.3 pt -119.61 -178.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.895 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.906 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 1.3 m -137.51 92.81 2.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.692 -0.685 . . . . 99.99 109.383 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.684 HD13 HD12 ' A' ' 84' ' ' ILE . 4.3 mp -106.15 113.41 63.52 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.139 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.71 -28.54 76.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.901 2.401 . . . . 10.0 112.196 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.481 HG23 HG23 ' A' ' 89' ' ' ILE . 18.3 tt -66.04 -26.27 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.168 0.433 . . . . 10.0 112.168 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.481 HG23 HG23 ' A' ' 88' ' ' ILE . 38.5 pt -111.74 19.64 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 10.0 111.263 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.2 p -77.68 149.41 34.66 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -6.71 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.507 0.558 . . . . 10.0 112.507 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -111.32 -7.8 14.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.845 0.313 . . . . 10.0 111.845 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -136.04 20.76 3.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.447 0.536 . . . . 10.0 112.447 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -83.28 136.28 34.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.977 0.418 . . . . 10.0 111.61 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 95' ' ' LYS . 3.8 mppt? -123.4 123.28 26.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.746 -0.835 . . . . 10.0 108.746 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.53 -16.87 50.64 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.913 2.409 . . . . 10.0 113.125 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 p -84.32 -8.85 58.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -73.9 136.61 43.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.102 0.477 . . . . 10.0 111.592 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -99.22 151.73 20.68 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.637 -0.875 . . . . 10.0 108.637 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 m -58.05 -26.42 62.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.814 0.34 . . . . 10.0 111.763 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.06 -29.25 70.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.089 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -79.99 -36.63 35.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.99 0.424 . . . . 10.0 109.923 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 22.7 t -63.98 -45.29 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.167 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 54' ' ' ILE . 93.1 mt -61.92 -36.5 81.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.76 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.64 -49.06 70.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.257 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.84 -37.64 76.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.226 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 111' ' ' VAL . 60.8 tp -64.45 -49.37 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.746 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -56.76 -43.13 80.5 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.11 -44.09 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.751 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.38 -26.19 64.53 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 107' ' ' LEU . 74.7 t -75.64 -45.27 39.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.837 0.351 . . . . 10.0 110.169 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -75.12 -33.84 61.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.331 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 113' ' ' ARG . 14.2 mmm180 -116.7 98.06 51.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.09 119.18 6.19 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.742 2.295 . . . . 10.0 112.485 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.542 ' ND2' ' HB2' ' A' ' 118' ' ' GLU . 38.9 t30 -75.34 110.69 9.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.968 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.7 pt -83.07 -7.28 10.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 10.0 112.412 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -86.69 -38.4 17.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.204 0.526 . . . . 10.0 110.156 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.542 ' HB2' ' ND2' ' A' ' 115' ' ' ASN . 5.7 mp0 -119.3 81.45 22.05 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.527 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -93.41 129.35 0.71 Allowed 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.861 2.374 . . . . 10.0 112.451 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.791 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.8 mp -78.72 -24.89 44.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.507 0.67 . . . . 10.0 109.24 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.462 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 37.2 mtp180 -129.12 100.21 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.194 -0.912 . . . . 10.0 110.396 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -63.04 -26.39 68.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.913 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.462 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 16.8 p-10 -70.91 -33.47 70.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.321 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.482 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.1 mp -88.79 -44.98 10.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.921 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.37 90.18 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.987 0.422 . . . . 10.0 111.287 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.586 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 22.5 t70 -66.06 -42.79 89.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.389 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 19.1 tp -58.57 -44.32 89.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.271 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.89 -32.78 73.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.84 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.0 m -80.46 -31.67 37.36 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.903 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 80.4 mm-40 -70.02 -54.04 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.597 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 134' ' ' LEU . 44.6 t-20 -146.67 105.6 3.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.413 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -58.08 -43.08 51.1 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.976 2.451 . . . . 10.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -64.81 -43.6 92.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.492 -0.322 . . . . 10.0 110.672 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 131' ' ' ASN . 60.5 tp -59.15 -46.34 88.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.092 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.633 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 62.8 t80 -65.4 -41.34 93.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.016 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -59.3 -44.05 92.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.695 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -60.44 -49.46 77.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.716 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -65.55 -35.46 80.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.891 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.53 80.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.551 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -61.36 -32.68 72.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.549 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -61.26 2.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.897 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -63.15 -38.63 91.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.933 -0.576 . . . . 10.0 112.485 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.434 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 33.4 m -59.56 -48.17 82.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 30.1 mt -88.16 16.4 6.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.705 0.288 . . . . 10.0 111.36 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -122.04 -56.07 1.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.868 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -106.96 -2.22 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -85.93 153.81 27.29 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.431 -0.89 . . . . 10.0 112.371 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 18.5 t -80.39 149.93 5.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 107.848 -1.167 . . . . 10.0 107.848 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.513 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 5.0 t0 -62.55 159.83 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -86.95 117.53 68.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.092 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo . . . . . 0 C--O 1.249 1.038 0 C-N-CA 122.983 2.455 . . . . 10.0 111.619 179.365 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -93.46 123.32 36.69 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.093 0.473 . . . . 10.0 111.971 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.466 HD11 HD23 ' B' ' 15' ' ' LEU . 28.8 pt -127.91 175.95 8.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.129 -0.693 . . . . 10.0 109.129 178.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -129.46 140.3 51.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.906 0.384 . . . . 10.0 111.422 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -119.69 116.02 49.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.109 -0.701 . . . . 10.0 109.109 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.425 ' HE3' ' HA2' ' B' ' 10' ' ' GLY . 68.4 tttt -102.63 128.3 49.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.487 -179.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.456 HG22 HD23 ' B' ' 69' ' ' LEU . 17.7 p -88.03 169.39 12.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.273 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.42 -31.18 70.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.929 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -26.67 61.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 10.0 111.445 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.425 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . 118.04 -10.31 13.62 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.905 -0.664 . . . . 10.0 111.598 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -65.35 106.73 1.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -97.47 111.62 23.8 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.236 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 43.1 pt -98.57 148.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.93 0.395 . . . . 10.0 111.315 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -88.31 139.6 30.33 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.675 -0.693 . . . . 10.0 109.391 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.6 HD21 HG13 ' B' ' 26' ' ' VAL . 28.6 tp -137.34 130.68 31.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.663 0.268 . . . . 10.0 110.602 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -113.09 98.14 6.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.163 0.506 . . . . 10.0 111.165 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -133.21 160.09 42.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.567 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -95.35 158.66 34.3 Favored Pre-proline 0 C--N 1.32 -0.705 0 N-CA-C 110.515 -0.179 . . . . 10.0 110.515 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -61.53 -17.45 54.02 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.888 2.392 . . . . 10.0 112.598 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.78 1.69 54.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.312 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -77.78 154.88 31.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.892 0.377 . . . . 10.0 111.463 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -96.64 144.72 26.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.911 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.52 -40.33 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.792 0.293 . . . . 10.0 111.792 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -36.16 81.75 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.975 0.417 . . . . 10.0 110.714 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -69.85 -36.37 75.48 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.6 HG13 HD21 ' B' ' 15' ' ' LEU . 45.9 t -62.39 -42.55 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.516 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -59.94 -39.34 85.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.806 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.8 -31.8 72.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.87 -36.67 62.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.622 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -69.45 -32.36 52.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -67.76 -22.44 65.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.813 -1.085 . . . . 10.0 109.811 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.72 -54.18 6.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.359 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' B' ' 33' ' ' LYS . 6.1 ptpt -73.54 -38.0 65.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.345 0.868 . . . . 10.0 113.345 -178.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -96.32 -62.91 1.2 Allowed 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.919 -0.312 . . . . 10.0 111.359 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.93 -5.08 9.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.803 -0.713 . . . . 10.0 112.088 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.2 mt -70.45 124.2 90.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 C-N-CA 122.113 0.165 . . . . 10.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.0 Cg_exo -55.46 138.12 79.41 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 123.074 2.516 . . . . 10.0 111.949 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.8 Cg_exo -55.92 -31.67 82.55 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.592 2.861 . . . . 10.0 113.339 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.81 -23.77 64.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.14 0.495 . . . . 10.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -96.78 4.02 51.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.651 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.04 117.79 33.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.998 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.761 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 68.7 ttt180 -114.95 100.35 8.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.591 ' HB3' HD12 ' B' ' 50' ' ' LEU . 58.8 mt -85.96 116.52 24.24 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.284 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.48 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 12.7 mm -112.42 125.65 69.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.141 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.522 ' HB3' HD21 ' B' ' 50' ' ' LEU . 60.6 t80 -150.75 140.69 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.326 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 22.49 12.18 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.422 0.451 . . . . 10.0 111.671 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.65 86.79 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.879 -0.601 . . . . 10.0 112.207 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -125.97 168.11 14.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.857 0.36 . . . . 10.0 110.438 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -97.91 133.76 41.96 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.905 -0.588 . . . . 10.0 109.807 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' B' ' 43' ' ' LEU . 45.9 mt -80.85 115.76 20.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.141 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.62 ' HB3' ' HB2' ' B' ' 54' ' ' ARG . 5.1 tt0 -73.43 137.92 44.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.141 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.25 -33.34 69.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.821 -0.627 . . . . 10.0 112.112 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.33 12.22 69.86 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.771 -0.728 . . . . 10.0 112.796 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.62 ' HB2' ' HB3' ' B' ' 51' ' ' GLU . 0.0 OUTLIER -110.29 164.53 12.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 -179.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 45.3 p -113.73 167.9 10.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.964 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.31 -27.47 68.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 10.0 111.437 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -27.19 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.281 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -64.11 -42.43 96.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.085 0.469 . . . . 10.0 111.325 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -91.63 3.25 55.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.172 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.38 48.08 12.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.727 -0.669 . . . . 10.0 111.149 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 55.8 mt -81.37 127.69 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.654 -0.703 . . . . 10.0 109.591 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -104.25 -176.84 3.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.945 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.466 ' HD2' ' HG3' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -71.62 153.29 42.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.865 0.364 . . . . 10.0 111.69 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.466 ' HG3' ' HD2' ' B' ' 63' ' ' LYS . 41.1 mt-10 68.51 10.67 8.01 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.397 0.888 . . . . 10.0 113.397 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.7 m -74.24 138.71 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.005 -0.368 . . . . 10.0 110.005 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -101.07 112.01 24.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.979 0.419 . . . . 10.0 111.073 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 29.4 mt -88.0 144.47 26.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.041 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.48 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 27.5 m80 -93.62 118.47 31.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.456 HD23 HG22 ' B' ' 7' ' ' THR . 42.9 tp -102.61 102.63 12.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.082 0.468 . . . . 10.0 111.396 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.761 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 44.3 t -94.46 136.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.217 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -90.75 122.47 33.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.081 0.467 . . . . 10.0 111.384 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -107.46 98.14 7.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.243 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.74 125.48 33.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.702 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -92.24 85.21 5.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.353 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.39 136.08 5.56 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.721 -0.752 . . . . 10.0 112.971 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.906 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 1.2 m . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.801 -1.095 . . . . 99.99 109.23 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.532 0.206 . . . . 10.0 111.139 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -38.72 60.28 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.09 0.774 . . . . 10.0 113.09 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 56.9 ttm -54.62 -52.64 61.61 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 111.914 0.339 . . . . 10.0 111.914 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -71.06 -36.65 72.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.991 -0.284 . . . . 10.0 111.512 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.66 -47.07 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.47 -40.41 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 10.0 110.405 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -64.05 -43.98 93.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.595 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.33 -36.8 85.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.035 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.33 -48.94 77.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.762 -0.653 . . . . 10.0 109.252 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.69 -43.46 94.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.922 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.07 -50.23 74.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.723 -0.672 . . . . 10.0 111.086 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 101' ' ' CYS . 19.9 mt -71.61 -27.69 63.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.637 -0.711 . . . . 10.0 112.808 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -77.48 -38.47 49.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.701 0.286 . . . . 10.0 111.07 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -75.0 -34.64 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.072 0.463 . . . . 10.0 109.945 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -126.28 76.67 72.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.976 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.27 129.64 3.3 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.623 2.215 . . . . 10.0 112.791 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 38.6 Cg_endo -68.76 144.77 60.71 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.286 1.991 . . . . 10.0 110.478 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 59.6 Cg_exo -52.85 -32.36 56.18 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 123.151 2.568 . . . . 10.0 113.679 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -80.5 -2.17 44.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.39 0.885 . . . . 10.0 113.39 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD22 HD13 ' A' ' 104' ' ' LEU . 15.8 tp -122.47 123.55 41.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.805 0.336 . . . . 10.0 110.659 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -126.68 159.59 33.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.918 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.443 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 3.7 t30 51.69 64.94 1.65 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.37 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 65.6 tp -97.24 106.74 19.12 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.916 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 m -144.58 147.93 33.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.014 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.49 162.24 29.01 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.116 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.656 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 17.7 t70 -62.06 138.06 58.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.11 -12.99 61.86 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.499 0.555 . . . . 10.0 112.499 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.41 -40.78 4.03 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.656 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 47.4 t-20 -124.44 121.66 35.51 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.825 0.345 . . . . 10.0 111.599 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -67.79 -17.01 21.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 120.954 0.407 . . . . 10.0 111.826 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.73 3.97 30.89 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.871 0.367 . . . . 10.0 111.648 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 44.4 t -121.81 135.02 63.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.174 -0.676 . . . . 10.0 109.174 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.641 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 46.0 m0 -116.83 148.13 41.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.985 0.421 . . . . 10.0 111.405 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -125.65 122.6 36.85 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.464 -0.939 . . . . 10.0 108.464 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 23' ' ' ASN . . . -149.3 160.86 43.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.068 0.461 . . . . 10.0 111.901 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 mt -110.29 122.63 48.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.979 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -95.13 132.92 39.52 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.67 96.34 36.6 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.015 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -68.09 157.32 62.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 10.0 110.879 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -109.33 -28.11 9.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.657 0.265 . . . . 10.0 111.674 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -65.49 133.0 95.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.598 -0.273 . . . . 10.0 110.752 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.25 143.29 48.06 Favored 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.314 2.01 . . . . 10.0 111.014 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -98.61 23.55 21.88 Favored 'Cis proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.992 -1.253 . . . . 10.0 112.192 -0.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -64.73 -20.81 66.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 10.0 111.28 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.499 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 1.6 p-80 -78.85 10.14 3.62 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.659 0.614 . . . . 10.0 112.659 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.32 -31.03 25.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.626 0.25 . . . . 10.0 110.84 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 49.1 mmtt -140.83 -164.34 1.72 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.549 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.14 156.49 42.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.407 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -122.85 138.79 54.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.534 -0.303 . . . . 10.0 110.542 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -94.35 134.22 37.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.741 0.305 . . . . 10.0 110.788 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 pp -119.66 154.15 34.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.027 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -121.66 115.82 23.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.641 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 42.3 mt -100.27 121.63 51.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.446 -0.576 . . . . 10.0 109.446 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -115.35 116.8 28.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.803 0.335 . . . . 10.0 110.773 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -92.98 135.46 25.89 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.669 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 96.7 Cg_endo -83.56 155.32 13.94 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.414 2.076 . . . . 10.0 110.744 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.61 -15.28 48.77 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.429 2.086 . . . . 10.0 112.03 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -92.32 13.87 18.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.405 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 16.8 t80 -65.77 142.84 98.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.426 -0.583 . . . . 10.0 109.426 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.573 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 69.1 Cg_endo -96.08 22.21 27.6 Favored 'Cis proline' 0 C--N 1.35 0.639 0 C-N-CA 124.119 -1.2 . . . . 10.0 113.323 0.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -75.87 -21.23 57.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -116.1 139.28 24.92 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.291 -0.868 . . . . 10.0 109.336 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -71.41 141.2 38.22 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.431 2.087 . . . . 10.0 112.345 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 63.0 Cg_endo -76.25 136.13 17.6 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.518 2.145 . . . . 10.0 111.153 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 50.1 ttm -84.74 117.37 23.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.575 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.637 HG12 HG23 ' A' ' 54' ' ' ILE . 53.1 mt -115.53 128.15 72.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 11.3 ptmm? -144.68 169.63 17.63 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -92.68 138.83 31.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.676 0.274 . . . . 10.0 110.531 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.99 -22.09 23.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.481 0.657 . . . . 10.0 109.684 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.33 169.2 8.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.124 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -86.15 126.83 34.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.782 0.325 . . . . 10.0 111.182 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.42 HG12 ' HB2' ' A' ' 75' ' ' HIS . 6.8 tt -127.53 119.13 51.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.58 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -73.4 82.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.226 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.529 ' HB3' HG23 ' A' ' 78' ' ' VAL . 5.7 t-80 -132.46 136.2 27.56 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.757 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.694 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 36.7 Cg_endo -65.82 -0.87 4.29 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.954 2.436 . . . . 10.0 113.703 -179.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -119.23 15.31 13.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.044 0.45 . . . . 10.0 110.401 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 84' ' ' ILE . 21.7 t -133.65 148.54 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.412 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -98.46 171.12 8.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.65 -0.25 . . . . 10.0 110.979 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.62 -6.31 14.87 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.521 0.934 . . . . 10.0 113.521 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.455 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 47.6 m-80 -102.43 -7.36 22.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.25 0.547 . . . . 10.0 110.148 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.85 18.39 44.25 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.648 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.408 ' HB2' ' OD1' ' A' ' 79' ' ' ASP . 4.9 mm100 -86.33 142.48 28.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.915 0.388 . . . . 10.0 110.887 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.539 HG22 HG22 ' A' ' 78' ' ' VAL . 24.3 pt -133.92 176.35 9.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.822 -0.627 . . . . 10.0 109.376 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 86.4 m -142.47 91.13 2.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.085 0.469 . . . . 99.99 109.961 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.577 ' HB2' HG12 ' A' ' 89' ' ' ILE . 81.8 mt -90.48 116.0 65.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.344 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.05 -26.34 68.21 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.781 2.321 . . . . 10.0 112.292 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 103' ' ' VAL . 20.9 tt -66.88 -26.65 37.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-N 115.995 -0.548 . . . . 10.0 112.246 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.577 HG12 ' HB2' ' A' ' 86' ' ' LEU . 23.0 pt -115.34 16.03 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 111.934 0.346 . . . . 10.0 111.934 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.4 p -67.19 149.97 49.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 0.53 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -121.2 2.01 10.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.881 -0.145 . . . . 10.0 111.327 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -137.94 3.01 2.42 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -65.47 139.36 58.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.434 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 70.5 mttt -131.36 127.06 21.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 N-CA-C 108.518 -0.919 . . . . 10.0 108.518 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.59 -21.7 69.8 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.726 2.284 . . . . 10.0 113.007 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.76 -9.25 59.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 10.0 111.881 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -83.46 130.51 35.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.684 0.278 . . . . 10.0 110.514 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -98.28 163.37 12.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.333 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.4 m -59.72 -34.85 73.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.746 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.661 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -60.15 -37.45 80.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.874 0.369 . . . . 10.0 111.317 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -70.66 -36.99 73.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.337 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.433 ' HA ' HD13 ' A' ' 88' ' ' ILE . 40.7 t -67.94 -41.57 84.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.547 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.481 HD13 HD22 ' A' ' 21' ' ' LEU . 88.8 mt -61.17 -37.95 84.75 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.914 179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 109' ' ' VAL . 25.1 tt0 -66.09 -43.83 86.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.3 98.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.109 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 111' ' ' VAL . 55.4 tp -61.5 -47.42 85.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.486 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.21 73.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.817 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 105' ' ' GLU . 71.8 t -67.34 -47.77 80.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.381 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.8 mt -64.94 -27.25 68.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.368 . . . . 10.0 111.859 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 107' ' ' LEU . 53.6 t -73.86 -47.3 43.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.144 -0.317 . . . . 10.0 110.144 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -72.44 -33.87 67.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -119.78 90.51 43.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.178 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.19 122.86 10.97 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 123.036 2.491 . . . . 10.0 112.47 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -73.28 106.35 5.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.309 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.513 ' H ' HG13 ' A' ' 116' ' ' ILE . 1.7 pp -82.94 -13.75 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.034 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.459 ' HB2' ' OE1' ' A' ' 118' ' ' GLU . 15.0 mtp-105 -68.49 -60.63 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.459 ' OE1' ' HB2' ' A' ' 117' ' ' ARG . 2.1 mp0 -124.8 82.06 60.82 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.94 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -93.17 168.21 2.36 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.985 2.457 . . . . 10.0 111.88 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.23 -21.43 22.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.297 0.57 . . . . 10.0 109.615 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.522 ' HD3' HD22 ' A' ' 124' ' ' LEU . 19.9 mtp180 -128.07 96.63 4.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.563 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -62.2 -28.56 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.828 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 23.4 p-10 -66.93 -47.03 72.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.98 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.522 HD22 ' HD3' ' A' ' 121' ' ' ARG . 5.5 mp -73.46 -36.13 65.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.98 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.6 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.03 -40.23 95.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 10.0 110.546 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.525 HD11 HD23 ' A' ' 134' ' ' LEU . 48.6 tp -60.7 -41.12 94.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.501 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.04 -27.11 67.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.839 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 m -84.19 -32.09 24.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.089 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -75.32 -54.34 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.372 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -149.42 99.53 3.39 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.863 0.363 . . . . 10.0 110.926 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.9 -35.2 98.35 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.163 2.575 . . . . 10.0 112.719 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.571 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 28.2 tp10 -63.47 -47.59 81.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.537 0.208 . . . . 10.0 111.064 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.525 HD23 HD11 ' A' ' 127' ' ' LEU . 31.9 tp -59.4 -42.82 92.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.027 0.442 . . . . 10.0 110.291 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.694 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 69.4 t80 -66.04 -40.81 91.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.976 -0.556 . . . . 10.0 109.579 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -61.31 -39.41 90.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.552 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.571 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 66.4 mttm -62.0 -47.5 84.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.969 0.414 . . . . 10.0 110.331 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -63.42 -45.5 90.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.556 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.63 78.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.39 -49.83 75.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.72 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.98 -45.61 84.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.854 -0.338 . . . . 10.0 110.704 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -57.33 -45.01 84.71 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.247 0.342 . . . . 10.0 111.765 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.418 HG22 ' HB2' ' A' ' 48' ' ' LYS . 23.2 m -63.74 -35.94 82.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.123 0.487 . . . . 10.0 110.824 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.42 19.44 9.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.077 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -130.56 -41.94 1.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.312 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -117.53 12.37 14.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.749 0.309 . . . . 10.0 111.288 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -101.22 152.76 18.95 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.586 -0.816 . . . . 10.0 112.352 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.84 161.5 2.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.715 -0.846 . . . . 10.0 108.715 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.458 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 19.2 t0 -59.28 147.55 35.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.773 0.32 . . . . 10.0 111.491 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.499 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 23.1 ttt180 -108.62 111.87 60.93 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.885 -178.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 C--O 1.248 0.994 0 C-N-CA 122.79 2.327 . . . . 10.0 112.317 179.845 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.7 ptt? . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.751 0.31 . . . . 10.0 110.524 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' B' ' 2' ' ' GLN . 6.1 tt0 -97.35 126.36 42.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.907 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.4 pt -123.14 160.59 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.084 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -122.19 118.54 28.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.936 0.398 . . . . 10.0 110.934 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.3 t -103.99 117.11 48.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -102.51 127.88 49.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.075 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.506 HG22 HD23 ' B' ' 69' ' ' LEU . 32.5 p -89.4 166.31 13.8 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.723 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.423 HD11 HG13 ' B' ' 70' ' ' VAL . 86.4 mt -63.04 -23.74 67.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 10.0 110.668 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -6.96 52.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.296 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.74 -31.16 8.47 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.285 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -56.79 117.57 4.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.965 0.412 . . . . 10.0 111.484 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -103.27 122.88 45.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.6 pt -103.26 152.56 5.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.067 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.4 m -102.09 130.3 48.64 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.0 -0.546 . . . . 10.0 109.558 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.9 tp -133.01 145.95 51.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.855 0.36 . . . . 10.0 110.82 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -109.88 106.18 15.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.068 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.828 HG12 ' HE3' ' B' ' 29' ' ' LYS . 18.7 m -128.81 167.42 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.188 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.484 ' O ' HD12 ' B' ' 56' ' ' LEU . 19.4 mm-40 -116.89 158.39 44.01 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.21 -16.19 38.93 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.433 2.089 . . . . 10.0 111.595 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -88.79 -3.83 58.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.735 -0.666 . . . . 10.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.6 OUTLIER -77.05 130.14 37.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.831 0.348 . . . . 10.0 111.4 -179.489 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.24 151.37 26.86 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 54' ' ' ARG . 50.2 mm -55.41 -41.63 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.777 0.322 . . . . 10.0 111.397 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.75 -32.94 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.174 0.511 . . . . 10.0 110.413 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -74.46 -36.82 63.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 10.0 109.96 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.37 -41.49 92.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.876 -0.602 . . . . 10.0 109.654 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -58.5 -41.34 85.13 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.887 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.35 97.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.729 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.828 ' HE3' HG12 ' B' ' 17' ' ' VAL . 15.4 mtmm -65.28 -33.77 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.229 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.18 -40.27 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -70.9 -29.19 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.197 0.522 . . . . 10.0 109.829 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.12 -42.72 99.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.328 -0.851 . . . . 10.0 111.733 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.609 ' HD3' ' HG2' ' B' ' 34' ' ' GLU . 0.0 OUTLIER -95.95 -52.3 4.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.1 0.778 . . . . 10.0 113.1 -179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.609 ' HG2' ' HD3' ' B' ' 33' ' ' LYS . 18.3 mm-40 -75.49 -59.32 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 10.0 111.569 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.29 -6.56 10.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.645 -0.788 . . . . 10.0 112.503 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -68.84 121.81 82.74 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 110.571 -0.159 . . . . 10.0 110.571 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 36.8 Cg_exo -62.56 138.09 68.18 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.917 2.411 . . . . 10.0 111.876 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.6 Cg_exo -55.84 -25.96 55.0 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.378 2.719 . . . . 10.0 113.163 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -68.3 -18.43 64.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.18 0.514 . . . . 10.0 110.64 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -112.13 8.71 20.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.785 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -97.72 105.48 17.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.308 -0.406 . . . . 10.0 112.073 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.531 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 48.0 ttt180 -110.46 93.77 4.66 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 177.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.479 ' HB3' HD12 ' B' ' 50' ' ' LEU . 54.1 mt -84.3 124.65 31.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.84 -0.618 . . . . 10.0 112.349 -178.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 34.3 mm -116.68 130.98 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.552 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -136.89 117.28 13.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.492 -0.322 . . . . 10.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.0 26.61 16.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.892 -0.595 . . . . 10.0 111.976 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.31 -3.86 82.32 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.663 -0.78 . . . . 10.0 112.869 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -104.44 145.99 29.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.723 0.261 . . . . 10.0 110.724 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -88.67 127.83 35.59 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' B' ' 43' ' ' LEU . 48.4 mt -75.26 110.06 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.78 0.324 . . . . 10.0 110.998 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.9 131.72 40.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.261 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -48.94 -40.81 31.65 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.499 0.926 . . . . 10.0 113.499 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.1 9.27 67.01 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 114.932 0.733 . . . . 10.0 114.932 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.415 ' O ' HG12 ' B' ' 23' ' ' ILE . 4.0 mmp_? -103.85 163.36 12.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.582 0.691 . . . . 10.0 111.237 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.39 166.51 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.214 -0.291 . . . . 10.0 110.214 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.484 HD12 ' O ' ' B' ' 18' ' ' GLU . 91.2 mt -66.04 -28.71 69.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.989 0.423 . . . . 10.0 110.844 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -29.05 67.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.688 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.21 -43.04 92.29 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.129 0.49 . . . . 10.0 111.272 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -91.75 7.91 39.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.418 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 58.04 44.82 18.85 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.536 0.684 . . . . 10.0 111.136 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.3 mt -82.01 128.35 38.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.49 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.42 -165.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.329 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 151.21 35.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.011 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 68.49 19.08 8.86 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.777 -0.647 . . . . 10.0 112.317 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -78.56 130.97 36.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.43 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -93.72 114.69 27.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.089 0.471 . . . . 10.0 110.832 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 72.0 mt -98.33 143.47 28.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.114 -0.698 . . . . 10.0 109.114 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -103.01 116.49 32.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.68 0.276 . . . . 10.0 110.257 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.506 HD23 HG22 ' B' ' 7' ' ' THR . 52.8 tp -97.24 106.41 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.159 0.504 . . . . 10.0 111.376 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.531 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 45.1 t -93.32 118.07 38.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.718 -0.673 . . . . 10.0 109.279 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.31 113.68 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.298 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -98.02 105.5 17.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.337 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 tp -85.78 127.81 34.64 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 74' ' ' ARG . 17.7 ttp180 -107.76 98.75 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.935 -179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.95 85.81 1.24 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.748 -0.739 . . . . 10.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.18 -0.914 . . . . 99.99 110.169 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.703 0.287 . . . . 10.0 111.532 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -35.76 65.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.182 0.808 . . . . 10.0 113.182 -178.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mmm -56.48 -31.84 64.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.87 0.366 . . . . 10.0 111.977 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.513 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 12.2 ttt180 -91.56 -36.21 13.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.842 0.353 . . . . 10.0 110.173 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.6 t -57.98 -48.27 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.236 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.66 -38.54 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.948 0.404 . . . . 10.0 110.175 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -65.2 -51.04 63.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.876 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -62.66 -37.53 86.73 Favored 'General case' 0 N--CA 1.46 0.059 0 CA-C-O 120.487 0.185 . . . . 10.0 111.032 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.43 -55.7 25.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.167 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.547 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 14.6 tt0 -59.21 -36.82 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.301 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 1.1 t70 -64.54 -49.05 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.869 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.48 -24.76 64.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.71 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -73.97 -22.88 59.46 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.066 0.46 . . . . 10.0 110.39 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.547 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 78.1 mttt -78.25 -40.94 35.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.736 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.46 80.28 70.63 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.669 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.16 142.57 15.33 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.476 2.117 . . . . 10.0 112.4 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.831 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 37.1 Cg_endo -68.94 145.78 63.09 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.283 1.989 . . . . 10.0 111.182 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 27.8 Cg_exo -62.49 -0.97 2.17 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 123.262 2.641 . . . . 10.0 114.056 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -121.13 8.28 10.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.779 0.288 . . . . 10.0 111.779 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.831 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 17.6 tp -145.8 111.88 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.796 0.331 . . . . 10.0 110.561 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -128.51 173.25 10.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.316 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 m120 65.15 27.49 12.34 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.616 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.3 tp -67.94 105.28 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.19 0.519 . . . . 10.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.39 161.4 36.42 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.806 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.41 173.39 9.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.9 -0.407 . . . . 10.0 109.9 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.669 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 5.0 t70 -71.86 171.9 10.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -87.68 -24.1 23.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.948 0.404 . . . . 10.0 111.326 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.03 4.59 10.42 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.312 0.486 . . . . 10.0 112.312 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -153.04 138.19 17.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.821 0.343 . . . . 10.0 111.132 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.47 -11.64 9.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.144 0.497 . . . . 10.0 110.5 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.01 5.18 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.452 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.669 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 45.6 t -120.17 115.81 48.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.765 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 44.6 m0 -97.95 141.8 30.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.398 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -125.76 121.59 33.79 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.411 -0.959 . . . . 10.0 108.411 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.54 165.79 32.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.936 0.398 . . . . 10.0 111.599 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.8 mt -111.83 120.25 41.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.11 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.7 tp -91.74 135.59 33.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.843 HD21 ' HD2' ' A' ' 151' ' ' PRO . 4.8 mp -122.26 93.93 48.22 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.24 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.39 150.91 59.15 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.615 2.21 . . . . 10.0 110.84 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.05 -29.4 13.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.834 0.35 . . . . 10.0 110.969 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.494 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 2.1 tp-100 -60.55 131.9 90.88 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.158 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 13.9 Cg_exo -70.32 144.75 51.93 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.824 2.349 . . . . 10.0 111.007 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -99.02 23.53 21.27 Favored 'Cis proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.926 -1.281 . . . . 10.0 111.908 -0.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -68.87 -13.0 62.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.037 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.537 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 1.4 p-80 -82.16 9.86 7.85 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.94 -33.65 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.855 0.359 . . . . 10.0 111.025 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 56.4 mmtt -135.53 -173.26 3.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.513 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.39 156.32 32.91 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.957 -0.386 . . . . 10.0 109.957 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -121.72 128.19 51.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.719 0.295 . . . . 10.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -85.23 130.53 34.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 pp -118.11 154.96 31.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.79 116.79 25.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.244 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.765 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 50.8 mt -102.14 114.27 41.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.67 115.51 30.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.089 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -92.23 124.93 58.25 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.713 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.74 153.42 33.72 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.312 2.008 . . . . 10.0 110.901 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.57 -15.46 50.1 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.526 2.151 . . . . 10.0 111.909 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.636 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.3 mp0 -94.52 18.38 11.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.11 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.482 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 27.2 t80 -68.68 143.8 95.42 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.482 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 60.2 Cg_endo -95.85 17.02 36.44 Favored 'Cis proline' 0 C--N 1.349 0.596 0 C-N-CA 124.097 -1.21 . . . . 10.0 113.101 0.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -68.57 -29.66 68.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.715 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -107.4 133.79 20.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.01 -0.995 . . . . 10.0 109.125 178.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.715 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 36.7 Cg_endo -66.33 145.82 78.86 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.756 2.304 . . . . 10.0 112.719 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.43 139.14 22.87 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.712 2.275 . . . . 10.0 111.882 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 49.8 mtm -89.94 106.97 18.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.288 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.652 HG12 HG23 ' A' ' 54' ' ' ILE . 47.4 mt -111.55 131.95 61.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.75 0.309 . . . . 10.0 110.67 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 9.7 ptmm? -144.17 162.18 36.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.74 -0.467 . . . . 10.0 109.74 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -96.42 134.74 39.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.677 0.275 . . . . 10.0 110.611 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 m -86.51 -35.21 19.71 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.731 -0.84 . . . . 10.0 108.731 178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 m -82.75 139.26 33.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.07 -0.968 . . . . 10.0 110.754 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -70.52 106.95 3.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.456 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 75' ' ' HIS . 7.2 tt -110.15 121.51 63.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.056 0.455 . . . . 10.0 111.239 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -77.64 78.0 4.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.21 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.475 ' HB2' HG12 ' A' ' 73' ' ' ILE . 9.4 t-80 -127.14 134.35 26.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.795 -179.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.608 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 21.5 Cg_endo -60.23 -16.24 39.36 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 123.212 2.608 . . . . 10.0 114.057 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -107.0 18.7 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.767 0.318 . . . . 10.0 111.213 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' A' ' 75' ' ' HIS . 24.9 t -135.71 142.93 37.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -89.5 168.55 12.09 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.434 -0.21 . . . . 10.0 110.434 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -60.13 -24.16 64.46 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.466 ' H ' ' CG ' ' A' ' 79' ' ' ASP . 58.2 t30 -84.92 -24.17 28.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.2 0.524 . . . . 10.0 110.885 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.69 17.02 9.45 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.574 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -81.3 142.04 33.48 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.428 HG22 HG22 ' A' ' 78' ' ' VAL . 7.3 pt -132.03 144.57 36.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.146 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.433 ' HB2' HD11 ' A' ' 120' ' ' LEU . 50.7 m -107.61 95.64 5.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.916 -0.584 . . . . 99.99 110.18 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.721 ' HG ' HG22 ' A' ' 88' ' ' ILE . 16.4 tp -100.47 112.19 63.99 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.138 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.77 -33.23 79.95 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.435 2.757 . . . . 10.0 114.055 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.721 HG22 ' HG ' ' A' ' 86' ' ' LEU . 12.5 tt -66.26 -20.42 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.271 0.471 . . . . 10.0 112.271 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.541 HG12 ' HB3' ' A' ' 86' ' ' LEU . 29.2 pt -120.98 25.61 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.283 0.563 . . . . 10.0 110.648 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 84.2 p -77.3 155.49 32.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.516 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -72.09 -1.43 14.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.963 0.411 . . . . 10.0 112.053 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -117.7 -4.63 11.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.519 -0.31 . . . . 10.0 111.82 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -149.13 53.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.096 0.474 . . . . 10.0 110.886 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -119.27 137.15 53.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.917 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -124.82 128.9 24.77 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.903 179.181 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 25.6 Cg_exo -64.39 -10.41 23.85 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.054 2.503 . . . . 10.0 113.167 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -87.48 1.44 53.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.126 0.488 . . . . 10.0 111.28 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.6 m -85.57 135.47 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.117 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 7.5 mtpm? -90.6 156.25 18.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.343 -0.389 . . . . 10.0 109.972 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.5 m -61.16 -30.26 70.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.999 0.428 . . . . 10.0 111.32 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -35.84 80.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.658 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -68.05 -37.88 81.84 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.313 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.12 -45.07 99.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.91 -0.587 . . . . 10.0 109.918 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.48 -37.69 87.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.51 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 109' ' ' VAL . 27.6 tt0 -63.07 -51.57 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.161 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.83 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.059 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 111' ' ' VAL . 64.2 tp -62.27 -47.33 84.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.479 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -56.85 -35.02 68.38 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.999 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 105' ' ' GLU . 98.0 t -63.46 -49.07 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.374 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 110' ' ' LEU . 18.1 mt -69.05 -25.11 64.3 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.074 0.398 . . . . 10.0 112.074 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 107' ' ' LEU . 78.0 t -71.99 -47.28 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.913 0.387 . . . . 10.0 110.358 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -79.48 -26.87 41.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.14 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -115.48 93.72 37.47 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.12 113.26 2.77 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.576 2.184 . . . . 10.0 111.985 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -75.21 102.52 5.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.42 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 pt -81.84 -7.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.865 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.455 ' HB2' ' OE1' ' A' ' 118' ' ' GLU . 5.2 mtp-105 -80.14 -53.28 6.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.455 ' OE1' ' HB2' ' A' ' 117' ' ' ARG . 1.7 mp0 -123.3 79.4 53.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.858 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -98.89 -177.17 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.108 2.539 . . . . 10.0 112.052 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 85' ' ' CYS . 8.4 mp -103.33 -35.17 8.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.221 0.534 . . . . 10.0 109.584 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.409 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 16.8 mtp85 -119.34 104.23 10.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.895 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -61.76 -36.83 82.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.482 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.409 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 34.0 p-10 -60.22 -45.06 94.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.389 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.8 mp -71.01 -41.81 70.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.856 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.71 -49.59 74.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.469 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.16 -37.65 86.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.928 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.629 HD11 HD23 ' A' ' 134' ' ' LEU . 36.1 tp -59.63 -41.18 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.431 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.99 -30.41 70.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.902 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.79 -42.29 28.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.15 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -67.65 -60.21 2.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.721 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -139.56 99.43 7.77 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-O 120.777 0.322 . . . . 10.0 111.01 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.22 -29.62 90.87 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.029 2.486 . . . . 10.0 112.646 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -69.8 -48.73 58.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.833 -0.167 . . . . 10.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.629 HD23 HD11 ' A' ' 127' ' ' LEU . 31.2 tp -57.85 -44.08 86.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.905 0.383 . . . . 10.0 110.59 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.608 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 83.8 t80 -64.99 -44.92 87.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.073 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -59.69 -42.65 93.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -63.2 -43.73 97.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -66.26 -47.13 74.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.071 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.47 91.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -57.18 -51.76 68.04 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.541 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -59.46 -43.5 93.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.181 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -63.79 -40.82 97.58 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.091 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 48' ' ' LYS . 28.2 m -62.88 -40.95 99.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.931 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.6 mt -87.89 17.4 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.179 0.514 . . . . 10.0 110.816 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -116.26 -59.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.851 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.49 -15.19 14.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.845 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -63.45 145.63 50.02 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.185 -0.531 . . . . 10.0 113.705 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 17.0 t -77.69 149.1 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.208 -1.034 . . . . 10.0 108.208 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.462 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 15.3 t0 -57.8 144.64 37.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.63 0.252 . . . . 10.0 111.379 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.537 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 11.2 tpt180 -74.84 111.56 13.83 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.147 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.843 ' HD2' HD21 ' A' ' 39' ' ' LEU . 17.3 Cg_exo . . . . . 0 C--O 1.251 1.137 0 C-N-CA 122.948 2.432 . . . . 10.0 111.62 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.608 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.0 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.829 0.347 . . . . 10.0 110.771 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.11 126.57 47.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.663 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.452 HG13 ' HB3' ' B' ' 15' ' ' LEU . 27.3 pt -127.06 169.64 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.435 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -122.25 137.3 54.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.863 0.363 . . . . 10.0 111.256 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -116.78 119.86 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -108.83 135.45 50.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.843 0.354 . . . . 10.0 111.209 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -100.63 -177.73 3.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.062 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.4 mt -74.76 -13.47 60.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 10.0 112.164 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.1 p -93.77 -7.61 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.897 0.38 . . . . 10.0 110.702 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.91 -11.62 62.42 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.431 -0.668 . . . . 10.0 111.431 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -63.74 111.73 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -109.6 120.21 41.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.408 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 18.6 pt -110.58 159.07 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.944 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 142.76 26.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.97 -0.752 . . . . 10.0 108.97 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.452 ' HB3' HG13 ' B' ' 3' ' ' ILE . 13.9 tp -130.95 133.56 45.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.053 0.454 . . . . 10.0 111.956 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.84 103.91 15.91 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.411 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' B' ' 1' ' ' MET . 9.5 m -138.14 172.73 13.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.914 0.388 . . . . 10.0 111.049 -178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' B' ' 56' ' ' LEU . 71.4 mm-40 -125.49 159.29 61.13 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -58.21 -27.46 80.58 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.144 1.896 . . . . 10.0 111.525 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.84 4.29 37.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.902 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -81.31 138.68 35.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.842 0.353 . . . . 10.0 111.059 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.62 150.62 22.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.127 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.726 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 51.4 mm -57.96 -33.61 46.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.669 0.271 . . . . 10.0 111.475 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.76 -36.04 81.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.937 0.398 . . . . 10.0 110.586 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -77.82 -32.01 51.98 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.39 -46.59 96.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.123 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -62.22 -38.34 88.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.281 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.44 95.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.722 -0.672 . . . . 10.0 110.558 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.89 -37.41 84.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.838 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.69 -39.61 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -64.35 -28.06 69.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.694 -0.684 . . . . 10.0 110.68 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -71.56 -47.7 53.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.097 -0.501 . . . . 10.0 112.082 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -83.34 -49.76 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.755 1.02 . . . . 10.0 113.755 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -80.04 -45.51 18.21 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.49 27.18 9.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.376 -0.916 . . . . 10.0 111.803 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -101.84 123.36 44.13 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.649 -0.5 . . . . 10.0 109.649 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -54.31 133.24 54.99 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.897 2.398 . . . . 10.0 112.232 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.09 -27.83 75.97 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.252 2.634 . . . . 10.0 112.959 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.38 -30.85 71.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.365 0.603 . . . . 10.0 110.777 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.456 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 43.6 mt-30 -95.38 6.26 49.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.174 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -96.15 99.39 11.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.155 -0.475 . . . . 10.0 112.0 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.64 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 53.5 ttt180 -98.24 87.7 3.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 178.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.652 ' HB3' HD12 ' B' ' 50' ' ' LEU . 37.3 mt -74.91 119.98 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.8 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.439 ' CD1' ' HG2' ' B' ' 49' ' ' GLN . 29.5 mm -118.73 131.53 71.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.102 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.637 ' HB3' HD21 ' B' ' 50' ' ' LEU . 85.4 t80 -138.6 127.49 23.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.987 -0.375 . . . . 10.0 109.987 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.4 27.51 15.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.059 -0.518 . . . . 10.0 111.538 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.44 7.03 88.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.056 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -116.61 150.27 38.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.718 -0.284 . . . . 10.0 110.502 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.439 ' HG2' ' CD1' ' B' ' 44' ' ' ILE . 22.5 mt-30 -84.01 141.98 30.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' B' ' 43' ' ' LEU . 45.8 mt -96.02 113.25 24.84 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.737 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.619 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 12.2 tt0 -78.93 132.33 36.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.308 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.726 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 14.8 m-20 -52.54 -33.37 45.16 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.704 0.631 . . . . 10.0 112.704 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.432 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -75.14 -18.79 80.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.945 -0.645 . . . . 10.0 113.154 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.619 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 5.1 mmp_? -85.84 162.52 18.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.254 0.55 . . . . 10.0 111.139 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 5.8 p -107.27 167.55 9.84 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.499 -0.773 . . . . 10.0 109.373 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.466 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.7 mt -63.32 -34.1 76.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.719 0.295 . . . . 10.0 110.954 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.7 p -67.89 -27.01 66.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.146 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' B' ' 55' ' ' THR . 31.0 m-20 -61.32 -40.83 95.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.651 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.405 ' HB2' HG13 ' B' ' 61' ' ' ILE . 95.0 m-85 -94.48 0.76 55.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.494 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 65.88 40.83 4.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.393 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.405 HG13 ' HB2' ' B' ' 59' ' ' TYR . 46.7 mt -87.36 119.3 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.722 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -108.86 -169.43 1.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.222 -0.444 . . . . 10.0 110.666 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.608 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 15.6 pttp -70.82 161.9 30.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.78 0.324 . . . . 10.0 111.378 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.45 18.3 11.27 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.904 0.705 . . . . 10.0 112.904 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -92.78 150.22 20.78 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.922 -0.399 . . . . 10.0 109.922 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.9 m -112.2 117.06 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.896 0.379 . . . . 10.0 111.493 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 55.5 mt -95.73 147.38 23.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -103.44 123.02 46.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.655 0.264 . . . . 10.0 110.479 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 34.9 tp -102.47 102.91 13.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.207 0.527 . . . . 10.0 111.561 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.64 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 64.6 t -90.74 127.2 43.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.84 125.67 31.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.164 0.507 . . . . 10.0 111.889 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 11.3 ttp180 -98.44 112.53 24.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.813 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mp -88.42 92.79 9.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.084 0.469 . . . . 10.0 111.682 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 74' ' ' ARG . 0.7 OUTLIER -81.88 109.23 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.785 -0.643 . . . . 10.0 109.94 179.508 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.78 60.58 0.22 Allowed Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 111.178 -0.769 . . . . 10.0 111.178 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.037 0 CA-C-O 117.965 -1.017 . . . . 99.99 109.523 -179.22 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.396 0.141 . . . . 10.0 111.372 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.45 -37.7 62.86 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.092 0.775 . . . . 10.0 113.092 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -55.05 -51.63 65.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.81 0.338 . . . . 10.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -68.13 -37.88 81.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.694 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.8 t -57.47 -46.64 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.461 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.94 -39.49 85.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 121.053 0.454 . . . . 10.0 110.269 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -64.02 -42.6 97.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.319 179.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 38.1 mt-10 -70.38 -34.22 72.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.0 0.428 . . . . 10.0 110.652 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.74 -52.98 61.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.796 -0.638 . . . . 10.0 109.583 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -71.75 -9.33 58.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.157 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 1.1 t70 -80.2 -55.29 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.44 HD21 ' HB3' ' A' ' 101' ' ' CYS . 84.6 mt -75.77 -17.63 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.649 -0.705 . . . . 10.0 111.443 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -70.56 -22.1 62.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.933 0.397 . . . . 10.0 111.062 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -89.23 -38.63 14.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.696 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 69.3 mmtt -131.07 80.27 69.39 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.673 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -86.32 141.64 6.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.371 2.047 . . . . 10.0 111.805 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 33.2 Cg_endo -66.48 151.0 83.98 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.351 2.034 . . . . 10.0 111.201 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 48.0 Cg_exo -57.99 -24.19 64.11 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.911 2.408 . . . . 10.0 113.299 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -93.21 11.93 26.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.521 0.563 . . . . 10.0 112.521 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.5 tp -137.63 116.98 12.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.679 0.276 . . . . 10.0 110.257 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 22' ' ' ARG . 9.7 mmt180 -122.98 152.54 40.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.101 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 58.48 41.13 23.17 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.612 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.8 tp -74.76 94.82 2.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.849 0.357 . . . . 10.0 110.16 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -134.88 161.51 35.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.529 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.69 177.38 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.12 -0.326 . . . . 10.0 110.12 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.555 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 29.1 t70 -76.4 167.34 22.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.78 0.324 . . . . 10.0 110.959 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -68.85 -32.46 72.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.534 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.18 -38.5 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.508 0.559 . . . . 10.0 112.508 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.555 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 10.7 t-20 -93.68 123.32 36.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 10.0 111.263 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.58 -15.58 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.031 0.443 . . . . 10.0 110.932 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.0 mt -90.35 5.87 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.293 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 54' ' ' ILE . 90.8 t -120.82 120.95 63.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.933 -0.395 . . . . 10.0 109.933 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.609 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 46.9 m0 -106.94 146.71 30.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.101 0.477 . . . . 10.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -124.21 125.8 45.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.903 -1.147 . . . . 10.0 107.903 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.4 153.25 35.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.834 -0.346 . . . . 10.0 111.479 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.2 mt -101.46 114.57 28.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.416 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.5 tp -84.67 133.75 34.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 mp -115.57 85.73 14.2 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.124 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.56 137.22 41.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.302 2.001 . . . . 10.0 110.296 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.729 ' HA ' ' HD2' ' A' ' 46' ' ' HIS . 4.8 t70 -88.12 -33.46 18.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.739 0.304 . . . . 10.0 111.396 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -60.88 126.87 86.55 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.979 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.36 152.57 78.83 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.416 2.077 . . . . 10.0 111.236 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -92.88 17.26 42.09 Favored 'Cis proline' 0 N--CA 1.461 -0.437 0 C-N-CA 123.74 -1.358 . . . . 10.0 112.33 0.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -73.12 -0.49 14.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.102 0.477 . . . . 10.0 110.988 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.729 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 29.4 t-80 -84.21 -6.02 59.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.972 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.5 mt -81.61 -30.05 33.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 67.6 mmtt -137.73 -168.4 2.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.607 0.242 . . . . 10.0 111.03 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.85 154.84 43.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.823 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -124.95 121.01 33.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.528 -0.305 . . . . 10.0 110.728 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -79.3 139.12 37.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.674 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pp -120.24 152.81 37.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.834 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 53' ' ' ARG . 10.9 ttt180 -116.6 113.77 23.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.337 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.636 HG23 HG12 ' A' ' 67' ' ' ILE . 39.5 mt -99.4 113.37 34.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.06 107.98 18.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.896 0.379 . . . . 10.0 110.871 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -83.75 132.91 47.46 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.811 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 94.2 Cg_endo -82.83 150.08 14.2 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.311 2.008 . . . . 10.0 110.833 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -59.86 -18.11 47.52 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.53 2.153 . . . . 10.0 112.628 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.5 mp0 -84.66 5.02 29.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.587 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 15.6 t80 -56.0 137.17 73.29 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 110.343 -0.243 . . . . 10.0 110.343 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 65.3 Cg_endo -99.58 27.58 15.73 Favored 'Cis proline' 0 C--N 1.35 0.615 0 C-N-CA 124.241 -1.149 . . . . 10.0 113.565 0.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -76.09 -25.58 55.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.245 -0.65 . . . . 10.0 109.245 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 1.8 mmmm -118.78 137.74 25.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.227 -0.897 . . . . 10.0 109.672 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HB2' ' HB ' ' A' ' 89' ' ' ILE . 37.5 Cg_endo -66.61 146.03 77.99 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.856 2.371 . . . . 10.0 112.927 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.595 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 58.2 Cg_endo -73.39 137.54 25.81 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.628 2.219 . . . . 10.0 111.601 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 31.0 mtm -84.76 107.61 17.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.502 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.636 HG12 HG23 ' A' ' 54' ' ' ILE . 55.4 mt -111.18 129.62 66.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.739 0.304 . . . . 10.0 110.47 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -139.51 165.06 28.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.086 -0.506 . . . . 10.0 109.864 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -91.12 135.38 33.81 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 121.039 -0.265 . . . . 10.0 111.039 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -89.63 -33.6 16.61 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.769 -0.826 . . . . 10.0 108.769 178.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 m -90.8 138.17 31.79 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.179 -0.919 . . . . 10.0 109.597 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -70.27 114.64 8.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.755 0.312 . . . . 10.0 110.682 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.6 tt -118.5 128.31 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.212 0.53 . . . . 10.0 111.643 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -81.75 79.88 8.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.315 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.566 ' HB3' HG23 ' A' ' 78' ' ' VAL . 4.5 t-80 -124.8 138.55 31.57 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 10.0 109.95 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 37.9 Cg_endo -66.36 -0.43 4.26 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.138 2.559 . . . . 10.0 113.557 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -120.72 15.45 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.989 0.423 . . . . 10.0 110.31 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.566 HG23 ' HB3' ' A' ' 75' ' ' HIS . 26.1 t -132.89 147.3 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 108.433 -0.951 . . . . 10.0 108.433 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.16 174.36 7.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.694 0.283 . . . . 10.0 110.902 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -63.48 -32.06 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 10.0 111.983 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.61 -49.36 26.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.956 0.408 . . . . 10.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.51 20.66 0.69 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.821 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -86.49 146.65 26.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 10.0 110.3 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.0 pt -137.36 157.41 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.493 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 18.1 m -119.62 127.81 53.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.112 -0.494 . . . . 99.99 109.671 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.498 ' HB3' HG22 ' A' ' 88' ' ' ILE . 5.5 mp -128.55 121.22 21.14 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.951 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -61.24 -26.3 81.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.721 2.281 . . . . 10.0 111.768 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.498 HG22 ' HB3' ' A' ' 86' ' ' LEU . 19.6 tt -67.83 -25.74 33.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.877 -0.601 . . . . 10.0 112.056 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.498 HG12 ' HB2' ' A' ' 86' ' ' LEU . 33.4 pt -123.2 21.17 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 10.0 110.7 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.9 p -74.52 149.86 40.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.366 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -11.38 54.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.073 0.463 . . . . 10.0 110.97 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -100.85 -5.27 26.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.144 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -163.59 103.15 0.93 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.861 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.2 t-105 -150.08 138.29 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.509 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.461 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 74.6 mttt -120.76 123.48 27.97 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 27.3 Cg_exo -64.2 -12.81 34.45 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.826 2.351 . . . . 10.0 112.396 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.73 -0.27 57.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.518 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.461 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 4.0 m -82.38 127.05 32.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.845 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 38.8 mtpt -92.09 161.11 14.9 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.828 -0.434 . . . . 10.0 109.828 178.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 m -57.39 -33.02 67.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.953 0.406 . . . . 10.0 111.333 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.44 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -59.48 -33.29 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.4 179.743 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -75.24 -41.13 58.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.373 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.46 ' HA ' HD13 ' A' ' 88' ' ' ILE . 21.6 t -63.49 -45.54 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.455 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.4 mt -62.93 -38.08 89.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.821 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 109' ' ' VAL . 31.0 tt0 -65.96 -46.91 76.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.116 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.28 83.59 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.55 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 111' ' ' VAL . 67.7 tp -64.95 -45.43 85.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.324 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -55.21 -39.48 69.71 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.723 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 105' ' ' GLU . 58.3 t -64.7 -44.61 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.011 -0.541 . . . . 10.0 110.232 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.72 -28.46 69.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 10.0 111.562 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 107' ' ' LEU . 97.0 t -76.07 -48.43 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.942 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -73.91 -27.62 61.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.17 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 113' ' ' ARG . 15.4 mmm180 -118.92 92.79 45.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -66.56 116.15 3.93 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.655 2.237 . . . . 10.0 111.641 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -74.37 106.56 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.423 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 19.1 pt -85.16 -11.0 11.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.612 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.2 mtp-105 -75.04 -60.03 2.47 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.99 80.19 34.03 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.702 -0.681 . . . . 10.0 109.717 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -94.03 174.85 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.792 2.328 . . . . 10.0 111.759 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.6 mp -98.57 -12.68 20.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.24 0.543 . . . . 10.0 109.85 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.577 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 17.6 mtp180 -130.93 115.5 16.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.698 -0.683 . . . . 10.0 111.007 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 88.0 mtp -74.5 -11.15 60.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.438 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.577 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 33.6 p-10 -90.68 -57.11 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.54 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.557 HD22 ' HD3' ' A' ' 121' ' ' ARG . 5.7 mp -62.17 -40.34 95.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.895 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.28 89.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.695 0.283 . . . . 10.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -70.09 -41.49 74.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.254 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.21 -40.98 95.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.364 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.44 -38.62 91.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.319 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.94 -35.19 62.16 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.981 -0.287 . . . . 10.0 111.105 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -70.63 -52.55 20.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.938 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -148.38 97.23 3.82 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.407 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.45 -38.64 93.78 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.287 2.658 . . . . 10.0 113.284 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 137' ' ' LYS . 28.5 tp10 -64.48 -43.14 95.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.73 -0.214 . . . . 10.0 111.308 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.0 tp -59.22 -45.92 89.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.012 0.434 . . . . 10.0 110.325 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.553 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 74.7 t80 -66.19 -41.29 90.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.791 -0.64 . . . . 10.0 109.992 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.454 HH12 ' CD ' ' A' ' 140' ' ' GLU . 23.7 ttp85 -61.04 -35.12 76.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 133' ' ' GLU . 61.9 mttm -63.23 -53.75 48.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 10.0 111.051 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -61.18 -42.64 98.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.138 0.494 . . . . 10.0 109.833 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.14 83.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.971 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.454 ' CD ' HH12 ' A' ' 136' ' ' ARG . 18.5 tt0 -62.53 -48.61 78.77 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.806 0.336 . . . . 10.0 110.271 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 5.0 tt0 -61.93 -42.15 98.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.023 -0.535 . . . . 10.0 109.986 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.09 -43.24 99.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.649 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 32.7 m -63.43 -39.31 94.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.248 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 94.2 mt -81.35 -13.69 58.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.005 0.431 . . . . 10.0 111.726 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 1.3 ttp180 -92.13 -55.89 3.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -99.69 -23.02 15.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -60.4 140.52 48.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.127 -0.559 . . . . 10.0 113.408 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 10.5 t -81.01 152.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.782 -0.821 . . . . 10.0 108.782 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.81 133.54 51.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.713 0.292 . . . . 10.0 111.438 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 150' ' ' ARG . 11.2 ttt180 -77.23 119.21 76.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.259 -179.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo . . . . . 0 C--O 1.247 0.944 0 C-N-CA 123.009 2.473 . . . . 10.0 112.02 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.61 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.8 ptt? . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.855 0.359 . . . . 10.0 110.641 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -85.35 127.52 34.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.52 . . . . 10.0 112.393 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.9 pt -129.27 162.67 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.128 -0.693 . . . . 10.0 109.128 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -119.51 131.47 55.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.53 0.205 . . . . 10.0 110.776 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.572 ' HB ' HG13 ' B' ' 13' ' ' ILE . 52.7 t -113.68 112.05 38.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -99.65 131.0 45.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.045 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 55.2 p -96.39 175.27 6.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.445 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.589 HD11 HG13 ' B' ' 70' ' ' VAL . 94.2 mt -72.29 -15.42 61.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.965 0.412 . . . . 10.0 110.703 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.59 10.41 30.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.147 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.24 -38.75 3.06 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.014 -0.612 . . . . 10.0 112.375 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -46.4 115.12 0.94 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.11 0.564 . . . . 10.0 111.254 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -108.64 119.55 39.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.713 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.572 HG13 ' HB ' ' B' ' 5' ' ' VAL . 21.6 pt -104.98 155.77 6.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.968 0.413 . . . . 10.0 111.405 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.46 142.78 30.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.185 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.706 HD11 ' HB3' ' B' ' 29' ' ' LYS . 19.3 tp -139.51 139.52 36.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.008 0.432 . . . . 10.0 111.703 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -99.18 107.94 20.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.568 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.9 m -137.66 168.71 20.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.2 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 23.4 mm-40 -125.14 154.69 71.68 Favored Pre-proline 0 C--N 1.319 -0.757 0 N-CA-C 109.147 -0.686 . . . . 10.0 109.147 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 79.1 Cg_exo -52.0 -29.08 34.5 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.671 2.247 . . . . 10.0 113.034 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.31 -0.74 47.02 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.933 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -76.7 140.58 40.92 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.71 0.29 . . . . 10.0 110.316 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.41 ' O ' HG23 ' B' ' 26' ' ' VAL . 8.3 p -87.5 151.02 23.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.257 -0.645 . . . . 10.0 109.257 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 41.8 mm -58.33 -33.19 46.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.051 0.453 . . . . 10.0 110.244 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.626 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 1.0 OUTLIER -61.33 -43.61 98.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.142 178.381 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -69.65 -34.64 74.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.315 -0.402 . . . . 10.0 109.987 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 22' ' ' THR . 75.9 t -60.64 -44.14 96.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.582 178.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.65 -42.05 96.22 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.361 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.04 -38.82 92.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.316 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.706 ' HB3' HD11 ' B' ' 15' ' ' LEU . 95.4 mttt -65.17 -35.47 81.18 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.219 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.1 mt -69.41 -41.72 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -64.8 -28.36 69.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.477 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.93 -34.06 77.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.813 -0.631 . . . . 10.0 112.191 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' B' ' 33' ' ' LYS . 15.6 ptpt -106.63 -40.32 5.57 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -89.16 -30.89 18.25 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.67 -10.92 73.52 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.625 -0.797 . . . . 10.0 113.025 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 25.4 mt -63.55 119.5 54.29 Favored Pre-proline 0 C--N 1.33 -0.258 0 C-N-CA 122.282 0.233 . . . . 10.0 111.089 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 25.0 Cg_exo -65.04 139.84 63.06 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.779 2.319 . . . . 10.0 111.528 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.23 -24.18 40.57 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.351 2.7 . . . . 10.0 112.974 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.66 -26.53 67.84 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.295 0.569 . . . . 10.0 110.498 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -109.28 16.32 22.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.862 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -104.49 108.52 20.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.601 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.541 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 54.7 ttt-85 -110.13 91.84 3.81 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.629 ' HB3' HD12 ' B' ' 50' ' ' LEU . 38.3 mt -82.07 119.9 24.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.943 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -119.45 132.24 69.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.188 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.498 ' HB3' HD21 ' B' ' 50' ' ' LEU . 79.7 t80 -149.19 134.12 18.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.914 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.19 37.17 26.23 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.145 0.498 . . . . 10.0 111.255 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.3 58.41 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.469 -0.787 . . . . 10.0 113.453 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -122.81 159.32 28.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.694 0.283 . . . . 10.0 110.859 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -92.43 134.44 34.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.065 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' B' ' 43' ' ' LEU . 60.2 mt -81.5 108.32 14.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.624 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 42.4 tt0 -73.93 134.13 43.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.276 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.626 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 3.5 m-20 -52.53 -41.49 63.54 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.284 0.846 . . . . 10.0 113.284 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.75 -4.59 71.48 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.992 -0.623 . . . . 10.0 113.788 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.48 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 4.9 mmp_? -96.7 157.05 16.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.862 0.363 . . . . 10.0 110.432 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 34.5 p -102.54 174.4 5.91 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 89.7 mt -64.95 -35.5 81.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 10.0 110.831 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.0 m -68.6 -22.0 64.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.314 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' B' ' 55' ' ' THR . 2.8 m-20 -62.67 -36.4 82.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.96 0.409 . . . . 10.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -104.09 10.87 35.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.665 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 56.52 52.48 9.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.64 0.733 . . . . 10.0 110.498 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.6 mt -96.01 110.46 24.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.098 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.92 -167.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.61 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 3.1 pttp -82.12 161.66 22.76 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.613 -0.435 . . . . 10.0 110.587 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 1.1 mp0 74.95 4.9 4.33 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.683 0.614 . . . . 10.0 112.114 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -78.16 140.22 38.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.906 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.9 m -104.17 107.69 18.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.01 0.433 . . . . 10.0 110.741 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 45.3 mt -84.74 148.82 26.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.869 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -104.8 114.79 29.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -98.96 107.21 19.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.1 0.476 . . . . 10.0 111.471 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.589 HG13 HD11 ' B' ' 8' ' ' LEU . 15.3 t -97.76 135.42 32.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.855 -0.612 . . . . 10.0 109.372 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.27 134.09 34.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.748 0.308 . . . . 10.0 111.398 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -115.27 87.33 2.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.69 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.92 126.88 31.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -89.59 86.3 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.021 0.439 . . . . 10.0 111.63 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.85 176.4 22.3 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.913 -0.661 . . . . 10.0 112.584 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 117.9 -1.048 . . . . 99.99 109.352 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.707 0.289 . . . . 10.0 111.291 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -58.2 -32.0 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.946 -179.449 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 43.6 ttm -57.77 -45.15 86.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.08 -35.28 69.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.058 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.83 -44.29 93.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.374 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 3' ' ' SER . 92.3 t -63.44 -35.71 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.189 0.519 . . . . 10.0 109.756 179.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -65.58 -50.5 64.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.619 -0.718 . . . . 10.0 109.904 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 44.6 mt-10 -63.29 -33.82 76.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.473 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.8 tp -60.65 -51.36 69.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.516 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -65.59 -37.89 87.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.749 -0.659 . . . . 10.0 110.435 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.69 -40.38 87.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.365 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 mt -87.58 -28.05 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.618 0.599 . . . . 10.0 112.618 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -77.12 -40.55 45.37 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.964 -0.294 . . . . 10.0 111.694 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -75.9 -20.15 58.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.149 0.5 . . . . 10.0 110.672 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -140.06 73.36 32.6 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.743 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 72.2 Cg_endo -77.82 145.7 22.92 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.797 2.331 . . . . 10.0 113.237 -178.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 21' ' ' LEU . 3.4 Cg_exo -79.29 152.86 24.01 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 123.153 2.569 . . . . 10.0 110.733 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 38.2 Cg_exo -62.82 -21.21 72.89 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.954 2.436 . . . . 10.0 112.621 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -99.31 7.78 45.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.487 0.551 . . . . 10.0 112.487 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.527 HD22 HD13 ' A' ' 104' ' ' LEU . 13.2 tp -139.77 114.01 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.774 0.321 . . . . 10.0 111.041 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -130.96 164.33 25.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.407 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 64.95 29.64 12.24 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.296 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 48.6 tp -70.24 102.93 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.74 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.67 144.94 49.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.451 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.69 161.74 28.28 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.531 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 19.4 t70 -61.42 152.63 29.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.097 0.475 . . . . 10.0 110.91 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.91 -19.52 51.64 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.829 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.62 -42.79 3.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.854 0.359 . . . . 10.0 111.361 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.531 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 3.1 t-20 -106.31 154.53 20.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.022 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.8 p -103.67 -15.57 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.247 0.546 . . . . 10.0 110.753 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 56' ' ' PHE . 92.4 mt -93.22 7.89 42.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.879 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.1 t -120.18 120.77 63.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.178 -0.464 . . . . 10.0 109.973 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.752 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 47.2 m0 -108.65 150.89 26.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.835 0.35 . . . . 10.0 111.075 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -133.69 124.31 26.5 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.45 -0.944 . . . . 10.0 108.45 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 24' ' ' LEU . . . -150.39 164.5 35.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.969 0.414 . . . . 10.0 111.735 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.9 mt -106.84 124.65 49.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.706 -0.679 . . . . 10.0 110.347 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 31.3 tp -90.98 136.29 33.17 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.592 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mp -113.24 89.73 15.08 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.603 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 12.2 Cg_exo -71.69 146.14 48.09 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.548 2.165 . . . . 10.0 110.637 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.98 -34.26 10.5 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 111.627 0.232 . . . . 10.0 111.627 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 5.5 tp-100 -59.73 119.82 44.01 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 31.2 Cg_exo -61.56 146.46 96.92 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.561 2.174 . . . . 10.0 110.791 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -94.66 19.63 34.44 Favored 'Cis proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.666 -1.389 . . . . 10.0 112.717 0.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -70.14 -5.49 27.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.017 0.437 . . . . 10.0 111.115 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -79.0 -20.22 49.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.414 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -65.19 -47.47 76.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 62.4 mmtt -124.07 -170.69 2.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.791 0.329 . . . . 10.0 111.347 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.23 164.86 19.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -130.03 141.84 50.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.654 0.264 . . . . 10.0 111.063 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -91.79 137.96 31.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.032 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 pp -127.67 152.5 47.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.949 0.404 . . . . 10.0 111.057 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 53' ' ' ARG . 3.7 ttt180 -117.84 117.94 30.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.631 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.752 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 58.5 mt -100.39 111.85 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.73 111.68 23.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.775 0.322 . . . . 10.0 111.383 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.441 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 80.2 m-85 -88.13 127.13 58.53 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.376 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.517 ' HB2' ' OE1' ' A' ' 59' ' ' GLU . 82.2 Cg_endo -77.93 152.55 28.48 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.424 2.083 . . . . 10.0 111.466 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.43 -20.11 67.09 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.799 2.333 . . . . 10.0 112.664 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.764 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 2.0 mp0 -86.93 10.05 17.46 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.722 0.296 . . . . 10.0 111.507 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.602 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 10.9 t80 -60.1 142.4 89.49 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.602 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 94.2 Cg_endo -96.67 22.07 27.05 Favored 'Cis proline' 0 N--CA 1.459 -0.52 0 C-N-CA 124.297 -1.126 . . . . 10.0 113.607 0.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -78.55 -18.13 55.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.294 0.568 . . . . 10.0 110.359 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.764 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -116.8 130.16 24.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.386 -0.825 . . . . 10.0 108.806 178.696 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.68 143.29 96.39 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.022 2.481 . . . . 10.0 112.985 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 54.5 Cg_endo -70.91 140.3 38.05 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.581 2.187 . . . . 10.0 111.57 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mtm -93.17 101.81 14.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.655 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.562 HG12 HG23 ' A' ' 54' ' ' ILE . 47.3 mt -106.68 129.57 59.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.241 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 11.7 ptmm? -140.19 162.45 35.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.197 -0.456 . . . . 10.0 109.799 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -86.94 137.61 32.22 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.17 2.81 43.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.943 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.85 161.59 25.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.169 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -81.77 90.46 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 10.0 111.092 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.455 HG23 HG11 ' A' ' 78' ' ' VAL . 5.7 tt -105.21 116.68 49.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.142 0.496 . . . . 10.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.2 87.5 6.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.613 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -126.21 136.82 29.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.547 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.499 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 15.3 Cg_endo -57.1 -16.37 21.1 Favored 'Trans proline' 0 N--CA 1.477 0.536 0 C-N-CA 123.296 2.664 . . . . 10.0 113.826 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -115.34 21.37 14.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.646 0.26 . . . . 10.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.455 HG11 HG23 ' A' ' 73' ' ' ILE . 90.6 t -133.57 136.21 54.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.215 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.408 ' HB3' ' HB2' ' A' ' 83' ' ' GLN . 12.8 t70 -80.98 161.48 24.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.559 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -58.37 -30.63 66.93 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.703 0.631 . . . . 10.0 112.703 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -89.43 -0.68 57.66 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.012 0.434 . . . . 10.0 111.344 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.2 15.23 48.79 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.583 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 7.8 mm100 -78.0 140.51 39.18 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.988 -0.745 . . . . 10.0 108.988 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.413 HG22 HG22 ' A' ' 78' ' ' VAL . 22.9 pt -134.13 170.47 19.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.866 0.365 . . . . 10.0 111.33 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 1.22 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 18.9 m -127.67 116.11 19.78 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.128 -1.064 . . . . 99.99 108.128 178.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.784 ' HG ' HG22 ' A' ' 88' ' ' ILE . 15.4 tp -131.2 109.83 15.21 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-O 120.752 0.31 . . . . 10.0 110.835 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.454 ' HD2' HD12 ' A' ' 86' ' ' LEU . 11.5 Cg_endo -54.34 -30.49 63.01 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.553 2.836 . . . . 10.0 113.939 -178.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.784 HG22 ' HG ' ' A' ' 86' ' ' LEU . 12.9 tt -68.02 -25.18 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.418 HG12 ' HB3' ' A' ' 86' ' ' LEU . 16.6 pt -117.18 25.19 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 121.24 0.543 . . . . 10.0 110.706 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 86.9 p -74.84 159.85 31.4 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.354 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m -82.51 7.67 13.79 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.126 0.489 . . . . 10.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -42.78 3.44 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.132 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.2 32.78 5.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.364 -0.38 . . . . 10.0 112.006 -178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -77.53 136.39 38.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.223 0.535 . . . . 10.0 111.683 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.434 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 46.0 mtpt -126.31 113.97 23.51 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 108.414 -0.958 . . . . 10.0 108.414 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.4 -23.14 53.7 Favored 'Trans proline' 0 N--CA 1.475 0.398 0 C-N-CA 123.391 2.727 . . . . 10.0 113.42 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.9 p -72.09 -21.64 61.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.279 -0.418 . . . . 10.0 111.495 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 1.8 m -73.94 132.2 42.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.003 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 60.1 mtpt -102.23 166.44 10.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.119 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m -57.22 -29.24 63.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.63 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.22 76.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.051 0.453 . . . . 10.0 110.764 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -78.6 -34.33 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.735 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.77 -48.6 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.614 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.527 HD13 HD22 ' A' ' 21' ' ' LEU . 87.7 mt -62.47 -32.5 73.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.104 0.478 . . . . 10.0 110.941 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 109' ' ' VAL . 38.1 tt0 -66.64 -49.28 66.73 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.01 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.92 86.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.255 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 111' ' ' VAL . 63.0 tp -61.66 -47.02 87.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.786 178.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -37.94 75.51 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.573 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 105' ' ' GLU . 76.8 t -63.48 -47.76 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.669 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.19 -25.27 65.15 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.192 0.441 . . . . 10.0 112.192 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 107' ' ' LEU . 63.8 t -74.02 -47.24 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -74.94 -36.38 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.664 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -114.94 91.74 27.74 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.994 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.33 123.64 11.78 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.608 2.205 . . . . 10.0 112.314 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -79.51 108.77 13.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.518 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 30.3 pt -83.62 -10.85 11.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.659 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.0 mtp-105 -72.47 -51.34 20.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.214 0.53 . . . . 10.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -125.41 79.97 66.1 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.572 -0.74 . . . . 10.0 109.552 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -93.7 159.28 2.34 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.815 2.343 . . . . 10.0 112.099 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 85' ' ' CYS . 10.0 mp -90.74 -29.27 17.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.499 0.666 . . . . 10.0 109.286 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.481 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 15.0 mtp180 -120.45 105.2 10.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.193 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -33.07 75.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.384 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.481 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 14.8 p-10 -63.35 -47.35 82.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.406 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.666 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 2.3 mp -72.78 -39.39 66.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.213 -0.448 . . . . 10.0 111.798 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.5 94.01 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.056 0.455 . . . . 10.0 110.505 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.66 -51.96 59.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.118 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 48.5 tp -57.58 -39.94 77.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.3 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 tp -58.87 -39.5 81.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.316 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m -84.13 -33.61 24.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.011 -0.541 . . . . 10.0 111.562 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -71.76 -46.89 57.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.866 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -147.59 95.34 4.29 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.431 -0.349 . . . . 10.0 110.39 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.83 -36.94 99.06 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.998 2.465 . . . . 10.0 112.197 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -68.68 -44.69 73.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.089 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.98 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.076 0.465 . . . . 10.0 110.154 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.666 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 88.1 t80 -65.81 -41.65 91.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.843 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -59.78 -44.44 93.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.752 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -66.01 -41.47 90.95 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.737 0.303 . . . . 10.0 110.807 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -61.08 -49.95 75.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 10.0 109.832 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.64 75.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.203 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.05 -43.94 95.03 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.931 0.396 . . . . 10.0 109.983 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 145' ' ' ARG . 10.9 tt0 -60.51 -48.55 81.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.93 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -42.75 99.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.741 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 20.9 m -62.97 -39.06 93.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.585 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 75.0 mt -89.02 3.93 50.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.132 0.492 . . . . 10.0 111.353 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 141' ' ' GLU . 30.8 ttt180 -110.67 -47.95 3.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.486 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -123.13 29.58 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.68 0.276 . . . . 10.0 111.28 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -103.8 151.97 17.74 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.554 -0.832 . . . . 10.0 112.18 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 13.2 t -87.14 148.97 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.274 -0.639 . . . . 10.0 109.274 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -55.79 133.44 51.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.711 0.291 . . . . 10.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 12.3 tpt180 -68.04 118.29 57.15 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.087 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 150' ' ' ARG . 30.0 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.853 2.369 . . . . 10.0 111.581 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 25.0 ptt? . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.829 0.347 . . . . 10.0 110.575 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -86.61 130.09 34.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.955 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.6 pt -127.25 172.52 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' B' ' 66' ' ' THR . 39.6 m-85 -123.02 134.6 54.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.903 0.382 . . . . 10.0 111.009 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.448 ' HB ' HG13 ' B' ' 13' ' ' ILE . 32.1 t -117.66 110.57 31.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -100.99 130.79 47.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.093 0.473 . . . . 10.0 111.261 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -91.95 171.47 9.1 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.047 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.576 HD11 HG13 ' B' ' 70' ' ' VAL . 48.1 mt -72.49 -13.68 61.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.919 0.39 . . . . 10.0 111.083 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -0.37 57.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.389 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.4 -17.77 58.31 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.92 -0.657 . . . . 10.0 113.35 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -67.91 113.8 5.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.778 0.323 . . . . 10.0 110.455 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.6 m -105.29 114.66 28.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.151 -0.477 . . . . 10.0 109.717 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.448 HG13 ' HB ' ' B' ' 5' ' ' VAL . 27.2 pt -103.52 144.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.048 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.5 137.01 32.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.517 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' B' ' 29' ' ' LYS . 14.3 tp -133.67 136.98 45.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.812 0.339 . . . . 10.0 110.771 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -109.58 113.68 26.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.36 0.6 . . . . 10.0 110.378 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.7 m -132.92 -177.29 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.29 -178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.479 ' O ' HD12 ' B' ' 56' ' ' LEU . 23.1 mm-40 -131.35 160.64 66.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.37 -25.82 67.67 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.804 2.336 . . . . 10.0 112.795 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.93 9.96 33.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.202 -0.453 . . . . 10.0 111.654 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -83.82 138.13 33.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.246 -0.279 . . . . 10.0 110.246 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.415 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -89.43 150.56 22.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.57 -179.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.409 HD12 HD13 ' B' ' 50' ' ' LEU . 51.1 mm -56.69 -38.11 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 10.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -60.42 -42.31 95.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.468 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.89 -34.93 76.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 10.0 109.924 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 22' ' ' THR . 76.7 t -60.76 -43.24 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.176 -0.676 . . . . 10.0 109.176 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.68 -42.67 97.58 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.532 -0.758 . . . . 10.0 110.105 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.35 84.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.782 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.549 ' HB3' HD11 ' B' ' 15' ' ' LEU . 94.2 mttt -64.59 -38.43 90.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.579 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.71 -36.47 70.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.039 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -65.56 -25.84 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.783 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.98 -51.49 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.645 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.462 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 7.5 ptpt -78.77 -44.23 23.76 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.74 1.015 . . . . 10.0 113.74 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -88.99 -53.1 4.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.774 0.321 . . . . 10.0 111.695 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.36 -9.26 20.15 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.468 -0.873 . . . . 10.0 112.535 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 mt -68.29 123.27 87.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.2 Cg_exo -61.37 141.55 92.83 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.947 2.431 . . . . 10.0 112.141 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.1 Cg_exo -56.53 -25.89 61.04 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.577 2.851 . . . . 10.0 113.153 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -67.99 -33.28 74.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.394 0.616 . . . . 10.0 110.483 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -95.89 5.5 51.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.796 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 67.6 mt-30 -95.98 106.14 18.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.58 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.643 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 56.2 ttt180 -107.03 93.91 4.81 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.528 ' HB3' HD12 ' B' ' 50' ' ' LEU . 57.7 mt -84.33 121.53 27.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.176 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 21.7 mm -116.85 131.94 68.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.653 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.562 ' HB3' HD21 ' B' ' 50' ' ' LEU . 73.8 t80 -141.05 125.89 18.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.74 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 35.31 25.68 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.487 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.14 3.12 68.41 Favored Glycine 0 CA--C 1.519 0.289 0 CA-C-N 115.653 -0.703 . . . . 10.0 112.864 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -110.93 145.9 37.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.767 0.318 . . . . 10.0 110.619 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -89.9 125.71 35.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.916 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' B' ' 45' ' ' PHE . 36.4 mt -75.2 126.31 30.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.273 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -85.97 134.0 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.175 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -43.17 58.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.547 0.573 . . . . 10.0 112.547 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.56 24.04 11.18 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.712 -0.756 . . . . 10.0 113.804 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -114.15 162.99 15.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.021 0.41 . . . . 10.0 109.899 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.82 160.55 15.16 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.479 HD12 ' O ' ' B' ' 18' ' ' GLU . 65.0 mt -63.34 -22.13 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.159 0.504 . . . . 10.0 110.649 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -31.27 68.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.243 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -60.58 -38.69 85.43 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.937 0.399 . . . . 10.0 111.454 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -97.49 5.87 49.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.986 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 56.58 50.38 12.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.784 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.7 mt -84.23 111.7 20.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.653 -0.703 . . . . 10.0 110.26 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -92.15 -168.66 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.181 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.4 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 19.7 pttp -77.72 155.4 31.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.998 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 65.23 17.12 10.89 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.563 0.949 . . . . 10.0 113.563 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -77.27 150.82 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -113.04 112.1 23.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.244 0.545 . . . . 10.0 111.993 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.9 mt -93.01 143.62 26.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.518 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -100.33 123.28 44.36 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 tp -100.67 106.62 18.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.025 0.441 . . . . 10.0 111.747 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.643 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 50.4 t -94.27 126.92 46.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.212 -0.662 . . . . 10.0 109.212 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 tp -77.25 111.34 12.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 10.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 ttp85 -88.79 95.43 10.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.399 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 mp -70.98 117.32 12.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' B' ' 74' ' ' ARG . 21.3 ttp180 -95.65 61.15 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.617 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.77 152.15 5.62 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.156 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 1.22 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.91 -1.043 . . . . 99.99 109.402 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.78 0.324 . . . . 10.0 111.232 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 7' ' ' VAL . 5.1 m -61.19 -30.19 70.27 Favored 'General case' 0 CA--C 1.529 0.136 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.5 mtt -57.1 -40.23 76.6 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.855 0.359 . . . . 10.0 110.873 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -80.01 -36.52 35.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.2 t -56.19 -51.22 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.803 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 3' ' ' SER . 40.9 t -62.11 -33.28 57.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.949 0.404 . . . . 10.0 110.509 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -68.97 -50.24 50.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.186 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.698 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.4 mt-10 -60.79 -39.31 88.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.56 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HB2' ' CZ2' ' A' ' 34' ' ' TRP . 14.6 tp -61.85 -46.92 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.528 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' HG2' ' HE3' ' A' ' 15' ' ' LYS . 9.9 tt0 -61.56 -39.28 90.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.228 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -61.11 -48.31 82.25 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.204 0.526 . . . . 10.0 110.675 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.6 mt -71.17 -27.21 63.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.619 -0.719 . . . . 10.0 112.032 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -79.67 -28.7 40.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 10.0 111.339 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' HE3' ' HG2' ' A' ' 11' ' ' GLU . 85.9 mttt -75.29 -42.41 54.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.201 0.525 . . . . 10.0 109.741 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -127.81 80.23 72.36 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.053 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 65.1 Cg_endo -73.62 140.6 29.84 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.76 2.306 . . . . 10.0 113.196 -178.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 21' ' ' LEU . 12.3 Cg_exo -72.54 147.58 46.27 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.806 2.338 . . . . 10.0 110.396 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 50.6 Cg_exo -55.56 -34.73 90.88 Favored 'Trans proline' 0 N--CA 1.473 0.299 0 C-N-CA 122.746 2.297 . . . . 10.0 112.913 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -88.99 -1.08 57.94 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' HB3' ' HD2' ' A' ' 18' ' ' PRO . 15.4 tp -126.21 110.64 13.67 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.766 -0.373 . . . . 10.0 110.77 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -125.95 156.96 38.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.484 -0.326 . . . . 10.0 111.715 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.13 32.6 12.55 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.83 -0.623 . . . . 10.0 112.675 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.4 tp -73.57 111.42 8.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.025 0.44 . . . . 10.0 110.917 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.12 154.84 47.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.692 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.62 154.44 28.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.253 -0.43 . . . . 10.0 109.976 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.657 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 17.8 t70 -64.21 143.99 57.47 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.935 -0.394 . . . . 10.0 109.935 179.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.62 -30.94 71.73 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.564 0.579 . . . . 10.0 112.564 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -97.65 -49.41 4.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.01 0.374 . . . . 10.0 112.01 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.657 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 44.1 t30 -115.43 114.04 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.884 0.373 . . . . 10.0 111.896 -178.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.23 -17.07 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-N 116.101 -0.499 . . . . 10.0 111.86 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.75 -2.09 41.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.74 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 54' ' ' ILE . 80.5 t -114.85 121.44 66.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 110.0 -0.37 . . . . 10.0 110.0 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.713 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 48.0 m0 -103.93 142.55 34.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.912 0.387 . . . . 10.0 110.782 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -122.96 124.47 43.26 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.003 -0.74 . . . . 10.0 109.003 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.65 161.57 42.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.812 0.339 . . . . 10.0 111.413 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.89 123.88 49.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.215 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.511 ' HB2' HD23 ' A' ' 52' ' ' LEU . 27.4 tp -93.06 130.63 38.6 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.894 HD21 ' HD2' ' A' ' 151' ' ' PRO . 6.6 mp -118.2 92.47 42.84 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.309 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -72.18 146.91 47.03 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.488 2.125 . . . . 10.0 110.362 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -95.3 -21.38 18.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.118 0.485 . . . . 10.0 110.929 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 8.0 tp-100 -78.35 123.9 85.72 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.944 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 32.3 Cg_exo -62.62 154.42 65.22 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.617 2.212 . . . . 10.0 111.282 178.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -89.66 7.99 66.78 Favored 'Cis proline' 0 N--CA 1.463 -0.298 0 C-N-CA 123.72 -1.367 . . . . 10.0 112.619 0.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -70.46 -4.61 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.957 0.408 . . . . 10.0 111.058 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.12 -6.7 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.392 0.516 . . . . 10.0 112.392 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.4 mt -84.11 -33.17 24.38 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.183 0.438 . . . . 10.0 112.183 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 68.6 mmtt -131.35 -167.22 1.82 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.545 -0.298 . . . . 10.0 110.679 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.98 160.22 35.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.487 ' HD1' ' HB ' ' A' ' 71' ' ' THR . 83.6 m-85 -125.26 141.69 51.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.704 0.288 . . . . 10.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -93.62 128.0 39.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.005 0.431 . . . . 10.0 110.856 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.511 HD23 ' HB2' ' A' ' 38' ' ' LEU . 1.9 pp -111.26 146.54 36.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.98 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.95 109.94 18.28 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.512 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.713 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 48.4 mt -94.47 119.45 42.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.641 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.14 108.9 17.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.698 0.285 . . . . 10.0 111.566 -179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -84.42 129.2 58.63 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.33 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.692 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 90.7 Cg_endo -80.85 156.34 20.67 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.491 2.127 . . . . 10.0 111.447 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.78 -12.94 37.98 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.529 2.153 . . . . 10.0 112.188 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 1.6 mp0 -96.31 14.38 24.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.425 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.635 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 21.6 t80 -65.48 145.3 99.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.635 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 77.8 Cg_endo -94.21 15.49 42.96 Favored 'Cis proline' 0 C--N 1.345 0.378 0 C-N-CA 124.346 -1.106 . . . . 10.0 113.177 0.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -70.01 -32.74 71.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.77 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -105.6 132.36 20.95 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.368 178.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.742 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 37.5 Cg_endo -67.25 141.81 58.28 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.793 2.329 . . . . 10.0 112.871 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.692 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 54.8 Cg_endo -71.92 137.41 29.38 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.54 2.16 . . . . 10.0 111.514 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.7 mtm -88.72 106.69 18.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.915 0.388 . . . . 10.0 111.202 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.691 HG12 HG23 ' A' ' 54' ' ' ILE . 48.2 mt -104.24 126.89 58.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.825 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 11.5 ptmm? -136.36 164.86 27.13 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -94.56 136.22 35.11 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.148 -0.315 . . . . 10.0 110.148 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 m -89.66 -38.99 13.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.642 0.734 . . . . 10.0 109.454 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 146' ' ' PHE . 0.2 OUTLIER -83.69 153.89 23.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.94 179.625 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 72' ' ' LYS . 29.6 mmtm -82.56 106.13 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.967 0.413 . . . . 10.0 111.573 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.529 HG23 HG11 ' A' ' 78' ' ' VAL . 4.3 tt -109.75 120.85 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.857 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.03 83.47 5.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.458 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -126.32 137.38 30.16 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.859 -0.61 . . . . 10.0 109.413 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.477 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 19.6 Cg_endo -60.24 -9.43 10.48 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.256 2.638 . . . . 10.0 113.907 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 119' ' ' PRO . 14.2 m120 -119.47 19.73 12.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.719 0.295 . . . . 10.0 110.764 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.529 HG11 HG23 ' A' ' 73' ' ' ILE . 59.4 t -134.6 136.32 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.791 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.562 ' HB3' ' HB2' ' A' ' 83' ' ' GLN . 19.5 t70 -87.26 160.61 18.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.28 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -62.53 -21.01 65.22 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.332 0.864 . . . . 10.0 113.332 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.444 ' HB3' ' HG2' ' A' ' 83' ' ' GLN . 5.5 t-20 -89.66 0.15 57.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.606 . . . . 10.0 110.254 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.82 15.6 57.74 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.339 -0.704 . . . . 10.0 111.339 -179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 79' ' ' ASP . 11.5 mm100 -81.23 143.47 32.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.728 0.299 . . . . 10.0 110.283 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.1 pt -141.11 179.46 2.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.701 ' SG ' ' HA ' ' B' ' 76' ' ' CYS . 16.2 m -134.06 113.05 11.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.772 -0.649 . . . . 99.99 109.486 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 89' ' ' ILE . 96.4 mt -118.38 107.44 43.19 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.834 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.47 -18.34 45.93 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 123.127 2.552 . . . . 10.0 112.615 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.501 HD13 ' HA ' ' A' ' 103' ' ' VAL . 19.9 tt -75.27 -25.4 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.565 -0.289 . . . . 10.0 111.5 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.486 ' HB ' ' HB2' ' A' ' 64' ' ' PRO . 27.6 pt -127.15 28.27 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.366 0.603 . . . . 10.0 110.141 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.4 p -84.07 161.85 20.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.646 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -19.39 63.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.027 0.441 . . . . 10.0 110.344 179.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.47 -34.23 21.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.782 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -140.51 111.84 7.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.263 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -155.78 137.99 14.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.721 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 52.6 mtpt -130.92 120.81 18.59 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.82 -17.99 53.72 Favored 'Trans proline' 0 N--CA 1.476 0.45 0 C-N-CA 123.131 2.554 . . . . 10.0 112.699 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -76.98 -9.92 59.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.446 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.2 m -85.24 136.08 33.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.047 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.698 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 54.8 mtpt -97.21 160.26 14.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.658 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.2 m -58.86 -28.35 66.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.371 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.28 -32.29 69.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.714 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -84.37 -32.57 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.537 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.501 ' HA ' HD13 ' A' ' 88' ' ' ILE . 41.0 t -65.51 -45.27 93.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.859 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.419 HD21 HD11 ' A' ' 54' ' ' ILE . 80.0 mt -64.84 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.457 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.33 -48.36 67.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.802 -0.636 . . . . 10.0 109.597 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.56 82.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.046 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 111' ' ' VAL . 63.6 tp -61.87 -47.42 85.1 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.021 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -59.8 -37.59 79.56 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.929 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.02 -45.67 96.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.496 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.14 -27.19 66.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.712 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 107' ' ' LEU . 70.2 t -74.67 -50.27 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.725 0.298 . . . . 10.0 110.828 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -71.92 -33.06 67.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.33 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -114.72 93.86 34.99 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.029 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.6 126.43 16.8 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 122.847 2.365 . . . . 10.0 112.562 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -84.64 102.76 13.18 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.035 -0.728 . . . . 10.0 109.035 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 pt -86.1 -8.46 11.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.888 0.375 . . . . 10.0 111.206 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.2 -43.17 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.669 -0.863 . . . . 10.0 108.669 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -126.3 74.55 73.15 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.03 -0.987 . . . . 10.0 109.418 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.457 ' HA ' ' ND2' ' A' ' 77' ' ' ASN . 93.3 Cg_endo -97.56 171.04 0.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.761 2.308 . . . . 10.0 112.747 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.8 mp -101.8 -28.78 12.24 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -120.26 95.62 4.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.51 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -58.08 -31.37 67.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.782 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -65.5 -48.79 71.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.069 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.4 mp -70.91 -31.22 67.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.616 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.6 -51.98 50.4 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.435 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.09 -35.68 81.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.699 0.285 . . . . 10.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.569 HD11 HD23 ' A' ' 134' ' ' LEU . 43.1 tp -60.29 -44.02 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.748 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 135' ' ' PHE . 50.7 tp -66.28 -29.24 69.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.018 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 m -80.65 -34.18 35.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.096 0.474 . . . . 10.0 110.373 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -75.71 -65.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -131.6 98.43 18.09 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.087 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.34 -42.27 70.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 123.159 2.573 . . . . 10.0 112.958 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.667 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 20.7 tp10 -61.78 -40.15 94.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.583 -0.281 . . . . 10.0 111.728 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.569 HD23 HD11 ' A' ' 127' ' ' LEU . 5.8 tp -60.21 -46.53 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.09 0.471 . . . . 10.0 110.144 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.477 ' CZ ' ' HD3' ' A' ' 76' ' ' PRO . 73.5 t80 -69.29 -40.16 77.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.756 -0.656 . . . . 10.0 109.849 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -55.48 -48.75 74.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.524 -0.762 . . . . 10.0 111.028 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.667 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 61.6 mttm -66.75 -43.85 83.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -59.14 -44.56 92.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.613 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.67 -33.21 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.106 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -64.3 -44.74 90.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.807 0.337 . . . . 10.0 110.3 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.15 -40.15 80.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.802 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.6 -44.52 70.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.668 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.4 m -63.5 -38.6 91.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.633 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.08 -13.09 60.45 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.431 0.53 . . . . 10.0 112.431 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -108.36 -45.81 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.489 ' O ' HG22 ' A' ' 71' ' ' THR . 50.1 m-85 -107.14 18.48 21.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -105.63 151.37 17.1 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.451 -0.881 . . . . 10.0 112.733 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.493 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 3.6 t -85.32 154.78 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.928 -0.767 . . . . 10.0 108.928 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.43 149.28 39.0 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.439 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 6.8 tpt180 -84.31 115.91 62.52 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.783 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.894 ' HD2' HD21 ' A' ' 39' ' ' LEU . 58.5 Cg_endo . . . . . 0 C--O 1.251 1.165 0 C-N-CA 123.231 2.621 . . . . 10.0 111.531 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.72 0.295 . . . . 10.0 110.323 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -95.89 130.82 42.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.059 0.457 . . . . 10.0 111.481 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 pt -124.48 161.22 28.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.811 -0.632 . . . . 10.0 109.734 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.44 ' HE2' ' HG3' ' B' ' 64' ' ' GLU . 94.7 m-85 -111.32 131.43 55.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.588 0.232 . . . . 10.0 110.639 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.53 ' HB ' HG13 ' B' ' 13' ' ' ILE . 24.0 t -114.69 115.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -103.5 123.43 46.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.935 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.452 HG22 HD23 ' B' ' 69' ' ' LEU . 39.8 p -92.95 168.66 11.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.066 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.479 HD11 HG13 ' B' ' 70' ' ' VAL . 91.3 mt -66.32 -16.59 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.048 0.451 . . . . 10.0 111.435 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.67 -1.63 57.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.87 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.08 -15.7 58.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.01 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -64.24 111.48 2.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.932 0.396 . . . . 10.0 109.948 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -102.63 118.76 37.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.795 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.53 HG13 ' HB ' ' B' ' 5' ' ' VAL . 31.1 pt -109.47 160.08 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.826 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.8 144.6 33.21 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 tp -137.24 139.16 40.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.618 0.247 . . . . 10.0 110.702 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -106.61 98.49 8.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 m -132.29 176.03 9.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.132 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 23.4 mm-40 -118.33 158.26 47.12 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 53.4 Cg_exo -54.92 -31.36 73.19 Favored 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 122.658 2.239 . . . . 10.0 112.934 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.55 1.01 23.92 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.9 OUTLIER -75.37 137.7 41.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.606 0.241 . . . . 10.0 110.664 179.575 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.6 148.56 27.09 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.531 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.8 mm -55.72 -36.45 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.665 0.269 . . . . 10.0 111.259 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -37.61 88.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.941 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -69.56 -37.96 77.22 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.89 -44.16 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.485 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.447 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 96.5 mttt -58.89 -43.11 90.92 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.661 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.56 90.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.955 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' B' ' 32' ' ' ASP . 64.9 mttm -68.18 -32.13 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.068 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 98.9 mt -69.18 -40.07 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -67.59 -25.28 65.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.301 0.572 . . . . 10.0 109.97 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' B' ' 29' ' ' LYS . 8.0 t70 -63.46 -39.35 94.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.591 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -99.84 -43.72 6.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.916 1.08 . . . . 10.0 113.916 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -89.94 -26.23 20.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.838 0.681 . . . . 10.0 112.838 -178.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 6.83 85.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.649 -0.786 . . . . 10.0 113.179 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.8 mt -76.16 120.7 82.81 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 122.722 -0.281 . . . . 10.0 110.617 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.503 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.9 Cg_exo -59.05 134.54 60.43 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.989 2.46 . . . . 10.0 112.207 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 23.6 Cg_exo -65.38 -18.22 59.68 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.089 2.526 . . . . 10.0 112.619 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -19.25 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.996 0.427 . . . . 10.0 111.377 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' B' ' 72' ' ' ARG . 35.1 mt-30 -120.48 15.57 12.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.212 0.529 . . . . 10.0 110.676 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 42.4 mt-30 -93.56 111.4 23.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.442 -0.799 . . . . 10.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.499 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 37.5 ttt180 -110.1 95.82 5.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.922 0.391 . . . . 10.0 110.053 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.702 ' HB3' HD12 ' B' ' 50' ' ' LEU . 35.4 mt -83.98 121.83 27.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.991 -0.549 . . . . 10.0 111.691 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.3 mm -117.11 131.7 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.495 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.57 ' HB3' HD21 ' B' ' 50' ' ' LEU . 79.0 t80 -136.12 120.26 17.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.103 179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.95 27.11 14.25 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.444 0.465 . . . . 10.0 111.714 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.13 -5.3 85.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.152 -0.547 . . . . 10.0 112.634 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -97.75 145.26 26.54 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.793 -0.24 . . . . 10.0 110.369 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -86.29 125.67 33.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' B' ' 43' ' ' LEU . 44.5 mt -77.0 110.54 11.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.008 0.432 . . . . 10.0 111.264 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.758 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 0.9 OUTLIER -80.04 130.38 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.621 -179.426 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.531 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 3.8 m-20 -50.45 -37.0 35.95 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.376 0.88 . . . . 10.0 113.376 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.07 11.98 51.99 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.087 -0.577 . . . . 10.0 114.423 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.758 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 3.7 mmt180 -115.9 161.74 18.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.265 0.532 . . . . 10.0 110.718 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -102.85 171.72 7.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.973 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.513 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 77.5 mt -66.77 -31.03 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.884 0.374 . . . . 10.0 110.135 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -30.18 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.128 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -64.4 -39.0 93.01 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.993 0.425 . . . . 10.0 111.177 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -92.7 2.94 56.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.742 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 60.87 49.96 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.372 0.606 . . . . 10.0 110.793 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.2 mt -93.52 121.46 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.625 -0.716 . . . . 10.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.492 ' HG2' ' H ' ' B' ' 63' ' ' LYS . 7.1 tt0 -104.96 177.05 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.6 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.492 ' H ' ' HG2' ' B' ' 62' ' ' GLN . 10.5 pttp -67.51 160.08 28.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.394 -0.225 . . . . 10.0 110.394 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.44 ' HG3' ' HE2' ' B' ' 4' ' ' PHE . 0.4 OUTLIER 66.36 11.01 7.69 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.0 m -83.74 143.51 29.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.3 m -101.63 115.02 29.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.983 0.421 . . . . 10.0 111.973 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.9 mt -93.05 147.3 22.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.712 -0.847 . . . . 10.0 108.712 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -103.32 122.19 44.29 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 121.031 -0.268 . . . . 10.0 110.336 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.452 HD23 HG22 ' B' ' 7' ' ' THR . 44.2 tp -101.73 99.73 10.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.061 0.458 . . . . 10.0 110.729 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 38.5 t -91.38 124.61 43.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.752 -0.658 . . . . 10.0 109.869 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 mp -82.21 116.73 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.935 0.397 . . . . 10.0 110.372 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' B' ' 40' ' ' GLN . 55.6 ttp180 -106.14 86.86 2.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.427 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 68.7 mt -55.72 136.42 50.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.006 0.432 . . . . 10.0 111.545 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -102.19 14.38 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.765 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.41 147.14 15.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.079 -1.058 . . . . 10.0 113.246 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.701 ' HA ' ' SG ' ' A' ' 85' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.689 -1.148 . . . . 99.99 108.468 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.74 0.305 . . . . 10.0 111.264 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -55.02 -36.14 65.16 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 ttm -53.49 -46.4 70.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.588 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.428 ' NH2' ' HA ' ' A' ' 99' ' ' LYS . 3.2 ttt180 -74.53 -32.41 62.47 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.637 -0.425 . . . . 10.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.46 -40.77 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.82 -39.69 86.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 109.641 -0.503 . . . . 10.0 109.641 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -64.7 -48.46 74.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.35 -41.07 92.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.063 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 53.6 tp -61.94 -52.58 63.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.684 -0.689 . . . . 10.0 110.229 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -58.94 -39.56 81.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.404 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -58.57 -47.87 82.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.524 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 101' ' ' CYS . 97.6 mt -80.38 -16.82 53.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.152 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 50.7 mm-40 -71.51 -45.96 60.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.009 0.433 . . . . 10.0 110.164 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -82.97 -26.36 31.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.328 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 60.9 mmtt -129.47 79.51 73.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.861 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -89.93 132.76 1.99 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.353 2.702 . . . . 10.0 112.343 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 35.1 Cg_endo -66.84 145.46 74.84 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.523 2.149 . . . . 10.0 111.145 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 32.9 Cg_exo -59.6 -10.18 10.87 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.364 2.709 . . . . 10.0 113.959 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -105.31 5.59 32.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.514 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 13.7 tp -140.32 112.02 7.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.022 0.439 . . . . 10.0 111.239 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -125.4 172.47 9.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.591 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 m120 61.63 22.05 12.62 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.638 0.586 . . . . 10.0 111.429 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.89 108.76 1.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.53 157.74 45.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.214 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.87 164.45 19.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.477 -0.329 . . . . 10.0 110.123 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.671 ' HB3' ' O ' ' A' ' 30' ' ' ASN . 13.0 t70 -71.46 146.08 48.84 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.65 -28.09 67.42 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 112.616 0.598 . . . . 10.0 112.616 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.06 -11.67 14.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.671 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 47.9 t-20 -146.21 130.42 17.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.964 0.411 . . . . 10.0 111.441 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.97 -14.02 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.164 0.507 . . . . 10.0 110.25 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.3 mt -87.38 11.68 13.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.44 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.421 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 64.4 t -130.72 124.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.619 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 45.9 m0 -110.04 150.61 28.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.84 0.352 . . . . 10.0 111.37 -179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -131.81 123.59 27.9 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.365 -0.976 . . . . 10.0 108.365 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.53 162.03 41.41 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.882 0.372 . . . . 10.0 111.635 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.6 mt -107.12 121.47 44.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.983 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 21.6 tp -88.47 131.78 34.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.902 -0.59 . . . . 10.0 109.793 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mp -114.15 90.16 19.23 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 38' ' ' LEU . 16.5 Cg_exo -68.95 158.34 58.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.348 2.032 . . . . 10.0 110.373 179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -109.54 -30.47 7.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.681 0.277 . . . . 10.0 111.414 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.468 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.9 tp-100 -61.58 126.61 87.14 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.495 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 17.5 Cg_exo -67.98 143.49 60.5 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.596 2.198 . . . . 10.0 111.249 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' HB2' HD12 ' A' ' 47' ' ' LEU . 85.2 Cg_endo -98.99 24.05 20.63 Favored 'Cis proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.903 -1.29 . . . . 10.0 112.188 0.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -67.23 -18.21 65.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 10.0 111.421 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.41 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 15.6 p80 -82.54 4.84 22.89 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.714 HD22 HD21 ' A' ' 144' ' ' LEU . 2.8 mt -77.34 -31.56 54.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.165 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 148' ' ' VAL . 65.3 mmtt -139.98 -167.25 2.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.233 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.47 159.04 37.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -124.7 139.35 53.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.691 0.281 . . . . 10.0 110.911 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -93.68 135.69 34.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.602 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 pp -122.87 152.73 40.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.151 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -118.01 114.66 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.217 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.65 HG23 HG12 ' A' ' 67' ' ' ILE . 51.7 mt -96.94 119.89 45.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.909 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -110.17 109.24 19.66 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.724 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -84.31 126.12 70.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.777 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.612 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 43.2 Cg_endo -68.96 147.45 68.05 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.282 1.988 . . . . 10.0 111.101 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -60.47 -22.08 70.48 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.836 2.357 . . . . 10.0 112.194 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -96.29 15.45 21.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.472 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -56.71 139.82 76.01 Favored Pre-proline 0 CA--C 1.532 0.279 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -97.16 24.06 23.29 Favored 'Cis proline' 0 N--CA 1.459 -0.518 0 C-N-CA 124.306 -1.122 . . . . 10.0 113.629 0.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -71.81 -19.3 62.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.31 0.576 . . . . 10.0 109.823 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -119.69 147.38 43.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.14 -0.937 . . . . 10.0 108.986 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.08 135.67 23.4 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.381 2.054 . . . . 10.0 112.864 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.612 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 54.0 Cg_endo -71.99 123.57 9.39 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.541 2.16 . . . . 10.0 110.891 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 75.9 mtm -81.3 117.5 21.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.036 0.446 . . . . 10.0 111.193 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.65 HG12 HG23 ' A' ' 54' ' ' ILE . 56.2 mt -116.63 126.15 73.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.6 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' HB2' ' HE2' ' A' ' 68' ' ' LYS . 10.4 ptmm? -135.98 161.64 35.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -88.41 141.1 28.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.774 0.321 . . . . 10.0 110.412 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.48 -23.21 17.21 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.453 0.644 . . . . 10.0 109.61 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.74 152.16 22.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.373 -0.831 . . . . 10.0 109.895 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.679 ' HB3' ' HE2' ' A' ' 142' ' ' PHE . 40.9 mttt -78.48 118.04 20.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 10.0 111.568 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.472 HG23 HG11 ' A' ' 78' ' ' VAL . 5.1 tt -123.39 121.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.588 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.44 84.56 3.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.119 0.485 . . . . 10.0 111.048 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.48 ' HB3' HG23 ' A' ' 78' ' ' VAL . 12.6 t-80 -128.94 137.58 31.31 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.552 ' HD3' ' CZ ' ' A' ' 135' ' ' PHE . 26.0 Cg_endo -61.6 -7.04 8.15 Favored 'Trans proline' 0 N--CA 1.478 0.58 0 C-N-CA 123.026 2.484 . . . . 10.0 113.835 -178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -119.84 20.55 12.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.735 0.302 . . . . 10.0 110.709 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 75' ' ' HIS . 54.7 t -132.85 141.12 45.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.58 164.12 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.111 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.407 ' O ' ' HE2' ' A' ' 72' ' ' LYS . 49.8 mm-40 -55.92 -35.58 66.76 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.953 0.723 . . . . 10.0 112.953 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.42 -3.79 58.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.15 13.73 44.67 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.795 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -78.65 146.07 34.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.807 0.303 . . . . 10.0 110.366 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.49 173.48 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.965 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.83 ' SG ' ' O ' ' B' ' 75' ' ' GLY . 2.3 m -133.6 113.22 12.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.02 -0.537 . . . . 99.99 109.83 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.512 ' HB3' HG22 ' A' ' 88' ' ' ILE . 5.8 mp -119.94 115.44 33.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.062 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.88 -20.49 52.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.0 2.467 . . . . 10.0 112.243 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' A' ' 103' ' ' VAL . 19.3 tt -71.59 -30.83 40.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.484 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.5 pt -113.22 14.03 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 10.0 111.005 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.9 p -71.61 144.91 49.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.391 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.26 -22.62 64.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.01 0.433 . . . . 10.0 111.136 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -88.95 4.49 47.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.807 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -165.8 47.21 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.521 0.563 . . . . 10.0 112.521 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -100.4 132.29 45.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.867 0.365 . . . . 10.0 111.086 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -123.4 123.24 26.55 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.112 -0.699 . . . . 10.0 109.112 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.51 -18.38 59.43 Favored 'Trans proline' 0 N--CA 1.474 0.375 0 C-N-CA 123.22 2.614 . . . . 10.0 113.032 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 -16.98 59.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.002 0.43 . . . . 10.0 111.617 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.42 135.52 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.755 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HA ' ' NH2' ' A' ' 5' ' ' ARG . 23.4 mtpp -89.57 153.64 20.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.3 m -58.37 -29.64 66.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.089 0.403 . . . . 10.0 112.089 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.598 ' HB3' HD21 ' A' ' 13' ' ' LEU . 3.7 p -62.3 -35.88 80.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.782 0.325 . . . . 10.0 111.122 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -70.21 -35.51 73.93 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.092 0.473 . . . . 10.0 110.185 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.596 ' HA ' HD13 ' A' ' 88' ' ' ILE . 48.3 t -64.9 -46.09 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.56 179.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.406 HD13 HD22 ' A' ' 21' ' ' LEU . 80.8 mt -64.58 -33.22 75.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.197 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 109' ' ' VAL . 41.5 tt0 -65.09 -49.08 71.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.524 178.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.31 84.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.236 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 111' ' ' VAL . 64.5 tp -61.11 -48.91 79.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.766 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -58.59 -40.61 83.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.67 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 105' ' ' GLU . 98.4 t -64.03 -44.4 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.431 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.29 -29.66 69.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.93 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 107' ' ' LEU . 77.6 t -74.08 -49.97 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.574 -0.285 . . . . 10.0 110.852 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -73.13 -33.76 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.928 0.394 . . . . 10.0 111.459 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 114' ' ' PRO . 23.3 mmm180 -115.16 93.24 34.6 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.767 -0.457 . . . . 10.0 109.767 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 113' ' ' ARG . 36.0 Cg_endo -64.02 144.02 86.47 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.808 2.338 . . . . 10.0 112.999 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.493 ' ND2' ' HB2' ' A' ' 118' ' ' GLU . 35.0 t30 -107.32 105.25 15.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.115 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.9 pt -86.61 -10.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.0 mtp-105 -74.39 -40.62 61.94 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.493 ' HB2' ' ND2' ' A' ' 115' ' ' ASN . 16.9 mp0 -131.51 74.14 78.73 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.707 -0.849 . . . . 10.0 108.707 178.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -92.86 159.31 2.75 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.699 2.266 . . . . 10.0 112.435 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.1 mp -91.98 -28.78 17.0 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 179.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.57 ' HB3' ' OD1' ' A' ' 123' ' ' ASP . 16.6 mtp180 -123.85 103.82 8.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.7 tpt -64.25 -31.92 73.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.697 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.57 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 24.4 p-10 -63.01 -48.71 77.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.166 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.468 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.9 mp -72.78 -35.06 67.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.149 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.55 -48.42 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.616 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.47 -42.26 99.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.423 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.409 HD11 HD23 ' A' ' 134' ' ' LEU . 34.9 tp -56.81 -47.67 79.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.323 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.432 HD13 ' CD2' ' A' ' 135' ' ' PHE . 58.4 tp -67.24 -28.54 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.716 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.9 m -83.02 -32.35 26.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.154 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -80.99 -44.69 17.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -148.39 96.95 3.84 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.699 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.426 ' HA ' HD12 ' A' ' 128' ' ' LEU . 48.8 Cg_exo -57.6 -37.71 96.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.964 2.443 . . . . 10.0 111.971 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -67.6 -41.01 84.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.368 . . . . 10.0 111.068 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.409 HD23 HD11 ' A' ' 127' ' ' LEU . 13.6 tp -62.61 -43.59 98.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 10.0 110.223 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.552 ' CZ ' ' HD3' ' A' ' 76' ' ' PRO . 87.7 t80 -67.98 -39.02 83.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.513 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.3 ttp85 -60.47 -37.82 82.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.39 -0.823 . . . . 10.0 110.58 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -64.48 -48.19 76.13 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.033 0.444 . . . . 10.0 109.861 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -60.43 -42.98 97.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.252 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.5 90.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.295 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.46 -52.27 65.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.649 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -57.53 -44.62 85.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.761 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.679 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -64.02 -48.37 76.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.597 -179.475 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.9 m -65.45 -40.1 92.83 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.714 HD21 HD22 ' A' ' 47' ' ' LEU . 29.9 mt -73.74 -13.09 60.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.056 0.761 . . . . 10.0 113.056 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -113.42 -42.45 3.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.063 0.764 . . . . 10.0 113.063 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -101.74 -0.26 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -93.9 155.73 22.12 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.396 -0.907 . . . . 10.0 112.78 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.564 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 38.7 t -82.48 145.25 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 11.3 t0 -56.42 142.18 39.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 10.0 111.61 -178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' A' ' 46' ' ' HIS . 11.4 tpt180 -71.24 118.63 67.61 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.448 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 C--O 1.249 1.054 0 C-N-CA 122.621 2.214 . . . . 10.0 111.816 179.924 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -96.74 124.86 40.85 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.816 0.341 . . . . 10.0 111.636 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 pt -111.17 167.19 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.747 -0.464 . . . . 10.0 109.747 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' B' ' 66' ' ' THR . 68.8 m-85 -121.9 114.95 21.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.773 0.32 . . . . 10.0 111.082 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.565 ' HB ' HG13 ' B' ' 13' ' ' ILE . 22.0 t -100.21 114.37 38.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -105.35 132.16 51.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.973 0.416 . . . . 10.0 110.835 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 23.4 p -97.33 169.98 9.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.435 HD11 HG13 ' B' ' 70' ' ' VAL . 29.9 mt -71.36 -6.94 43.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.501 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.25 0.79 54.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.175 0.512 . . . . 10.0 110.903 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.76 -14.87 61.93 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.819 -0.705 . . . . 10.0 112.734 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -70.84 126.54 29.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.77 0.319 . . . . 10.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -114.71 130.13 56.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.086 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.565 HG13 ' HB ' ' B' ' 5' ' ' VAL . 18.9 pt -118.16 137.98 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 10.0 111.529 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.45 140.7 29.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.715 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 tp -143.48 126.69 16.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.828 0.346 . . . . 10.0 111.262 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -92.51 113.33 25.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.068 0.461 . . . . 10.0 110.34 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.71 177.19 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.537 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 25.0 mm-40 -131.1 157.91 76.71 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.061 -0.348 . . . . 10.0 110.061 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.878 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 78.5 Cg_exo -52.66 -32.98 57.16 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.957 2.438 . . . . 10.0 113.014 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.23 0.05 12.98 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -86.93 141.18 28.91 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.09 -0.337 . . . . 10.0 110.09 179.552 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 0.8 OUTLIER -88.7 150.5 22.96 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.531 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.8 mm -54.68 -38.03 41.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.69 0.281 . . . . 10.0 111.106 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 26.0 tt0 -59.81 -45.95 90.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.544 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 55.5 t30 -65.87 -35.78 81.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.431 . . . . 10.0 110.378 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.83 -44.46 99.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.191 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.22 -41.45 88.66 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.827 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.02 83.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.297 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 80.6 mttt -68.44 -34.32 75.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.762 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.86 -43.04 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.854 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -63.34 -27.66 69.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.122 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.52 -46.44 72.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.861 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -86.83 -41.2 14.23 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -86.63 -67.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.875 0.369 . . . . 10.0 110.686 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.86 -14.98 5.18 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.364 -0.922 . . . . 10.0 112.946 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.3 mt -64.09 120.7 66.49 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.407 0.146 . . . . 10.0 110.992 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.4 Cg_exo -60.76 148.85 90.57 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.112 2.541 . . . . 10.0 112.193 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 36.0 Cg_exo -58.71 -27.95 84.97 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.117 2.545 . . . . 10.0 112.651 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -69.88 -21.62 63.31 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.516 0.674 . . . . 10.0 110.612 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.775 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 33.6 mt-30 -107.17 10.02 30.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.33 -179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -101.82 99.71 9.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.976 0.417 . . . . 10.0 112.119 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.693 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 55.2 ttt180 -104.97 91.25 3.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.7 -0.482 . . . . 10.0 109.7 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.467 ' HB3' HD12 ' B' ' 50' ' ' LEU . 44.8 mt -80.89 123.76 28.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.703 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 25.0 mm -116.02 128.17 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.956 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.867 ' HB3' HD21 ' B' ' 50' ' ' LEU . 93.4 t80 -144.91 135.88 24.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.229 -0.442 . . . . 10.0 109.991 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.45 26.83 16.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.038 0.446 . . . . 10.0 111.829 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.29 8.31 87.71 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.861 -0.685 . . . . 10.0 113.391 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.461 ' HE2' ' HD1' ' B' ' 59' ' ' TYR . 15.9 pttm -133.24 164.35 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.265 0.532 . . . . 10.0 111.674 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -83.73 150.27 25.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.867 HD21 ' HB3' ' B' ' 45' ' ' PHE . 35.4 mt -97.64 112.81 24.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.578 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.739 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 30.1 tt0 -71.75 135.88 46.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.806 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.557 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 13.0 m-20 -59.48 -24.44 63.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.495 0.554 . . . . 10.0 112.495 -179.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.739 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -86.42 -6.13 81.34 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.854 -0.689 . . . . 10.0 113.047 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.58 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 2.6 mmp_? -93.97 160.39 14.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.817 0.342 . . . . 10.0 110.442 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 80.6 p -103.3 176.81 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 178.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.878 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 46.7 mt -68.55 -26.43 65.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.217 0.532 . . . . 10.0 110.004 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -27.61 61.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.715 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.84 -31.13 71.36 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.339 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.461 ' HD1' ' HE2' ' B' ' 48' ' ' LYS . 98.4 m-85 -107.23 9.24 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.038 -0.528 . . . . 10.0 112.071 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 56.05 50.76 13.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.215 0.531 . . . . 10.0 111.385 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 53.5 mt -88.46 123.46 40.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.528 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -100.5 -179.08 3.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.537 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -72.19 150.25 43.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.78 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 67.71 12.07 8.67 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -77.54 133.17 38.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.752 0.311 . . . . 10.0 110.487 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 8.6 m -89.74 130.08 36.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.1 mt -108.83 144.16 37.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.389 -0.597 . . . . 10.0 109.389 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -97.27 115.84 28.38 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.372 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 tp -100.7 105.31 16.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.164 0.506 . . . . 10.0 111.25 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.693 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 41.7 t -89.53 127.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.648 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 70.5 mt -76.9 113.65 14.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.735 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.775 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 5.3 ttp180 -91.9 91.53 7.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 10.0 111.203 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.0 mp -80.65 97.0 7.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.01 0.433 . . . . 10.0 110.741 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -83.8 85.56 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.948 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.83 ' O ' ' SG ' ' A' ' 85' ' ' CYS . . . 135.92 140.49 4.17 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.716 -0.754 . . . . 10.0 112.623 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.713 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.949 -1.024 . . . . 99.99 110.083 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.631 0.253 . . . . 10.0 111.269 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.409 ' O ' HG23 ' A' ' 7' ' ' VAL . 1.1 m -58.99 -32.88 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.241 0.46 . . . . 10.0 112.241 -179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 55.4 ttm -56.8 -43.61 81.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.359 . . . . 10.0 111.262 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -69.57 -36.33 76.18 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.57 -45.59 93.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.521 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 3' ' ' SER . 53.6 t -62.45 -40.22 87.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.922 0.391 . . . . 10.0 110.212 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -66.55 -45.37 79.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.542 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.04 -38.0 89.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.212 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.23 -49.42 77.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.108 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -60.51 -41.69 94.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.905 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -60.24 -50.66 72.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.3 mt -74.03 -22.77 59.43 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.964 0.727 . . . . 10.0 112.964 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -79.79 -41.54 26.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.945 0.402 . . . . 10.0 111.104 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -76.48 -30.48 57.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.403 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -130.51 75.95 78.24 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.745 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -91.58 147.95 3.41 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.3 2.667 . . . . 10.0 113.114 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.578 ' HG2' ' HB3' ' A' ' 21' ' ' LEU . 56.5 Cg_endo -73.2 151.52 49.26 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.546 2.164 . . . . 10.0 110.9 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 31.4 Cg_exo -61.47 -21.06 70.92 Favored 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 123.075 2.516 . . . . 10.0 113.243 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -95.11 8.93 41.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.62 0.6 . . . . 10.0 112.62 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.578 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . 17.8 tp -141.24 122.63 14.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.93 0.395 . . . . 10.0 111.004 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -135.7 169.24 17.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.611 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 64.56 21.05 12.35 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.309 -0.405 . . . . 10.0 112.086 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.1 tp -65.94 107.79 1.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.123 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.91 165.04 29.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.054 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -174.43 4.3 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.149 -0.315 . . . . 10.0 110.149 179.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 27.8 t70 -84.14 162.74 20.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.96 -31.42 72.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.162 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -135.46 16.26 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.796 0.295 . . . . 10.0 111.796 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 7.7 t-20 -144.83 139.61 27.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.097 0.475 . . . . 10.0 111.537 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.58 -17.08 6.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.352 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -89.79 5.93 43.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.126 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.508 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 79.3 t -123.9 115.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.681 -0.488 . . . . 10.0 109.681 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.834 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 38.1 m0 -101.08 145.55 28.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.018 0.437 . . . . 10.0 111.141 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -126.95 126.05 42.56 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.661 -0.866 . . . . 10.0 108.661 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.41 160.45 41.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.88 0.371 . . . . 10.0 111.812 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.8 mt -107.14 120.11 41.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.599 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -90.88 134.1 34.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.758 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.94 92.18 29.5 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.185 -0.462 . . . . 10.0 110.343 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.57 152.2 82.49 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.521 2.148 . . . . 10.0 111.824 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -98.93 -35.16 10.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.062 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 6.0 tp-100 -65.81 125.61 90.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.31 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 42' ' ' GLN . 23.4 Cg_exo -67.43 150.18 80.6 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.729 2.286 . . . . 10.0 110.608 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -92.85 16.04 44.62 Favored 'Cis proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.678 -1.384 . . . . 10.0 112.22 0.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -65.18 -21.47 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.178 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -73.0 -4.84 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -80.57 -27.23 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.633 0.254 . . . . 10.0 111.198 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.685 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 43.0 mmtt -136.89 -168.5 2.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.144 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.94 161.58 31.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.94 136.67 49.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.627 -0.261 . . . . 10.0 110.82 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -91.01 132.61 35.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.835 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -118.84 151.36 38.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.296 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.46 114.46 22.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.894 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.834 ' HB ' ' HB2' ' A' ' 34' ' ' TRP . 54.7 mt -95.81 117.35 39.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.618 -0.512 . . . . 10.0 109.618 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.9 111.3 23.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.233 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.467 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 86.0 m-85 -89.52 129.1 48.35 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.269 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.542 ' HG2' ' HB3' ' A' ' 63' ' ' LYS . 3.0 Cg_exo -78.17 151.35 26.74 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.831 2.354 . . . . 10.0 110.912 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.89 -18.77 62.92 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 122.664 2.243 . . . . 10.0 112.794 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.45 16.65 8.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.784 0.326 . . . . 10.0 111.484 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.582 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 15.8 t80 -61.91 142.27 95.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.582 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 66.1 Cg_endo -96.16 21.67 28.42 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 124.263 -1.14 . . . . 10.0 113.16 0.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -75.65 -19.48 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.448 0.642 . . . . 10.0 109.791 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.542 ' HB3' ' HG2' ' A' ' 57' ' ' PRO . 4.7 mmtm -113.86 136.31 22.09 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.277 -0.874 . . . . 10.0 109.34 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HD2' ' HD2' ' A' ' 63' ' ' LYS . 57.0 Cg_endo -71.85 136.17 27.12 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.86 2.374 . . . . 10.0 112.865 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 48.0 Cg_endo -70.33 128.05 14.98 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.692 2.261 . . . . 10.0 111.411 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.7 mtm -84.81 109.3 17.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.78 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.676 HG12 HG23 ' A' ' 54' ' ' ILE . 50.6 mt -107.13 123.61 62.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.115 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 68' ' ' LYS . 5.7 ptmm? -132.85 157.73 44.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.11 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -85.11 130.8 34.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.88 -33.72 24.73 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.201 -0.454 . . . . 10.0 109.956 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.08 148.49 22.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.43 -0.805 . . . . 10.0 109.961 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 146' ' ' PHE . 36.0 mtpt -72.69 121.68 20.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 10.0 111.408 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.5 tt -125.72 127.21 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.743 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.511 ' CZ ' HD11 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -82.74 84.35 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.043 0.449 . . . . 10.0 110.52 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' HB3' HG23 ' A' ' 78' ' ' VAL . 7.7 t-80 -131.65 132.4 23.37 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.157 -0.683 . . . . 10.0 109.157 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 121' ' ' ARG . 18.1 Cg_endo -58.23 -13.28 15.59 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.108 2.539 . . . . 10.0 114.025 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -105.38 3.93 30.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.368 0.604 . . . . 10.0 110.808 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.53 HG22 HG22 ' A' ' 84' ' ' ILE . 21.4 t -125.34 144.32 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.164 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 81' ' ' ASN . 0.0 OUTLIER -94.55 168.4 10.88 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.001 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -60.79 -31.15 70.53 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.715 HD22 ' HG2' ' A' ' 83' ' ' GLN . 7.7 t30 -75.18 -29.79 60.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.183 0.516 . . . . 10.0 110.676 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.32 13.17 7.71 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.344 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.715 ' HG2' HD22 ' A' ' 81' ' ' ASN . 20.2 mm100 -86.96 153.87 21.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.84 0.352 . . . . 10.0 110.544 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.53 HG22 HG22 ' A' ' 78' ' ' VAL . 15.8 pt -133.71 -167.53 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.723 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' B' ' 76' ' ' CYS . 4.5 m -140.63 91.41 2.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.074 -0.512 . . . . 99.99 109.888 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.433 ' CB ' HG12 ' A' ' 89' ' ' ILE . 11.5 mt -103.14 107.93 57.08 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -58.18 -22.95 59.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.632 2.221 . . . . 10.0 111.859 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.502 HG23 HG23 ' A' ' 89' ' ' ILE . 21.3 tt -72.32 -29.62 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.772 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.502 HG23 HG23 ' A' ' 88' ' ' ILE . 47.2 pt -106.97 17.55 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 121.107 0.48 . . . . 10.0 111.263 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 94.0 p -78.97 144.61 34.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.014 -0.736 . . . . 10.0 109.014 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.87 0.22 6.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.942 0.401 . . . . 10.0 111.734 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -93.48 -32.45 14.18 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.609 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -134.22 33.07 3.37 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.036 0.754 . . . . 10.0 113.036 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -79.84 133.85 36.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.249 0.547 . . . . 10.0 111.279 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 3.3 mppt? -120.33 122.86 28.52 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.759 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 32.0 Cg_exo -60.88 -18.44 56.81 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.953 2.435 . . . . 10.0 112.575 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 95' ' ' LYS . 2.9 p -82.12 -0.1 43.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.521 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.1 m -87.69 130.49 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.828 0.346 . . . . 10.0 110.166 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -93.73 156.14 16.85 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.7 m -57.24 -29.48 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 10.0 111.693 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.54 -40.45 83.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.01 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.6 -35.01 67.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 10.0 110.328 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.0 t -65.38 -44.67 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.143 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.54 -36.05 82.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.825 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 109' ' ' VAL . 28.9 tt0 -65.67 -44.94 84.75 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.59 84.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.391 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 111' ' ' VAL . 62.4 tp -62.65 -45.68 91.71 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.517 179.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.45 -38.16 76.95 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.041 0.448 . . . . 10.0 110.181 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 105' ' ' GLU . 99.5 t -62.99 -45.76 98.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.329 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.47 -28.86 68.22 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.91 0.386 . . . . 10.0 111.613 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 107' ' ' LEU . 74.9 t -72.65 -51.5 27.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.526 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.48 -32.53 68.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.03 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 113' ' ' ARG . 15.0 mmm180 -115.18 92.5 31.84 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.064 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.61 110.36 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.681 2.254 . . . . 10.0 111.918 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -68.45 108.41 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.726 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 pt -88.28 -8.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.495 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -74.36 -55.16 6.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -127.01 79.25 73.22 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.573 -0.739 . . . . 10.0 109.999 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -97.67 171.07 0.73 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.978 2.452 . . . . 10.0 112.041 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.5 mp -92.05 -33.65 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.593 0.711 . . . . 10.0 109.115 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.548 ' HD3' HD22 ' A' ' 124' ' ' LEU . 16.0 mtp180 -112.77 94.91 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.185 -0.916 . . . . 10.0 109.753 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.449 ' HB2' HG21 ' B' ' 9' ' ' THR . 96.0 mtp -62.96 -27.54 69.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.057 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.41 ' OD1' ' HB3' ' A' ' 121' ' ' ARG . 20.0 p-10 -67.92 -45.44 74.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.709 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.66 ' HG ' ' HE1' ' A' ' 135' ' ' PHE . 4.7 mp -71.24 -38.31 71.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.784 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.8 86.86 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.364 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 130' ' ' GLN . 37.5 t70 -67.18 -40.1 86.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.915 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.5 tp -57.03 -45.6 83.01 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 10.0 110.25 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 132' ' ' PRO . 58.2 tp -66.73 -26.08 66.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.788 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.1 m -78.72 -39.52 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.487 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 126' ' ' ASP . 73.6 mm-40 -75.85 -53.12 8.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.405 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -145.95 101.19 4.21 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.502 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 128' ' ' LEU . 38.5 Cg_exo -62.64 -35.39 70.16 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 123.062 2.508 . . . . 10.0 112.265 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -66.95 -40.92 87.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.961 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.66 -42.2 98.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.198 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.66 ' HE1' ' HG ' ' A' ' 124' ' ' LEU . 56.9 t80 -69.52 -38.38 77.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.74 -0.663 . . . . 10.0 110.01 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -58.23 -41.52 84.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.338 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -62.73 -46.14 89.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 10.0 110.906 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -63.34 -47.68 81.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.56 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.37 78.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.35 -51.4 68.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.461 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.19 -43.65 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.403 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -60.46 -43.2 97.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.79 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.576 HG22 ' HB2' ' A' ' 48' ' ' LYS . 32.2 m -65.87 -43.25 88.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.648 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 29.2 mt -83.21 8.81 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 -178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -125.62 -49.8 1.63 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.447 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 94.3 m-85 -97.31 -22.34 16.71 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.314 0.486 . . . . 10.0 112.314 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -77.5 172.16 55.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.96 -0.638 . . . . 10.0 113.062 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.595 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 3.1 t -96.25 158.63 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.685 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 2.4 t0 -63.11 155.84 26.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.029 0.442 . . . . 10.0 111.758 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 8.0 tpt180 -91.67 116.35 66.29 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.361 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 C--O 1.251 1.15 0 C-N-CA 122.624 2.216 . . . . 10.0 111.797 179.903 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.653 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 12.4 ptt? . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -85.22 118.75 24.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.785 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -126.07 168.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -126.71 131.73 51.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.003 0.43 . . . . 10.0 111.713 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.55 123.29 67.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.19 -0.67 . . . . 10.0 109.19 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -107.63 131.86 53.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.555 -0.293 . . . . 10.0 110.894 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.453 HG22 HD23 ' B' ' 69' ' ' LEU . 16.7 p -91.69 173.28 7.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.459 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.6 -18.45 65.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.641 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 122' ' ' MET . 0.2 OUTLIER -89.88 -4.78 57.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.852 0.358 . . . . 10.0 111.258 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.85 -13.92 65.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.821 -0.704 . . . . 10.0 112.423 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -60.85 110.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.866 -0.42 . . . . 10.0 109.866 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.24 129.84 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.768 0.318 . . . . 10.0 110.805 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.2 pt -121.54 144.75 29.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.773 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -91.04 142.81 27.37 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -137.02 138.69 40.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.499 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -107.78 98.87 8.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 10.0 109.961 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.653 ' O ' ' HG2' ' B' ' 1' ' ' MET . 4.5 m -139.12 153.6 24.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.421 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 31.1 mm-40 -99.86 159.67 29.31 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.995 -0.372 . . . . 10.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.83 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 55.4 Cg_exo -55.26 -26.31 51.31 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.513 2.142 . . . . 10.0 112.245 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -3.17 41.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.84 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.5 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -78.63 130.33 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 179.301 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.73 150.62 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.167 -0.469 . . . . 10.0 109.928 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 45.2 mm -57.81 -38.75 67.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 10.0 110.655 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.567 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 27.1 tt0 -64.01 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.006 0.431 . . . . 10.0 110.02 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -67.13 -35.49 79.84 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.415 ' O ' HG13 ' B' ' 30' ' ' ILE . 75.0 t -64.56 -48.22 85.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.238 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.26 -44.81 80.08 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.46 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.66 80.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.129 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -74.08 -28.8 61.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.007 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 26' ' ' VAL . 95.4 mt -70.05 -39.39 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -70.11 -21.41 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.064 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.98 -42.01 70.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.599 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.479 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 0.2 OUTLIER -88.55 -52.27 5.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.763 0.653 . . . . 10.0 112.763 -179.781 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -82.12 -57.73 3.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.771 0.32 . . . . 10.0 111.386 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.73 -0.02 19.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.516 -0.849 . . . . 10.0 112.723 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -70.13 124.28 90.43 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 110.547 -0.168 . . . . 10.0 110.547 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.38 132.38 48.39 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.015 2.477 . . . . 10.0 111.896 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.29 -28.69 73.09 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.433 2.755 . . . . 10.0 112.992 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.63 -22.36 64.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.233 0.54 . . . . 10.0 110.716 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -105.13 6.56 33.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.636 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -97.29 107.64 20.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.579 . . . . 10.0 111.695 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.626 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 74.7 ttt180 -107.76 96.79 6.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 177.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.687 ' HB3' HD12 ' B' ' 50' ' ' LEU . 35.2 mt -83.27 119.34 24.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.91 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.4 mm -114.77 131.15 67.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.648 -0.705 . . . . 10.0 109.961 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.664 ' HB3' HD21 ' B' ' 50' ' ' LEU . 83.8 t80 -149.88 136.96 19.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.165 -0.471 . . . . 10.0 109.927 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.64 31.27 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.695 0.622 . . . . 10.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.02 8.69 78.94 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.491 -0.777 . . . . 10.0 113.359 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -123.61 170.21 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.882 0.372 . . . . 10.0 111.026 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -98.16 132.44 43.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.082 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.687 HD12 ' HB3' ' B' ' 43' ' ' LEU . 60.2 mt -79.29 109.42 13.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.502 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -74.31 130.38 39.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.567 ' HB3' ' HB2' ' B' ' 24' ' ' GLU . 5.3 m-20 -52.19 -33.32 40.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.63 -10.28 85.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 10.0 113.744 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -96.0 165.52 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.987 0.393 . . . . 10.0 111.439 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 10.5 p -108.37 173.75 6.18 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.042 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.83 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 50.0 mt -64.67 -30.71 71.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 10.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -28.42 68.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.197 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -64.72 -26.71 68.48 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.659 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -110.04 10.45 24.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.661 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 60.12 37.57 20.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.183 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.589 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 61.2 mt -79.15 127.45 39.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.519 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -118.18 -169.99 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.468 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 9.3 pttp -74.42 157.12 36.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.289 -0.264 . . . . 10.0 110.289 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 68.82 11.87 8.47 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.856 0.687 . . . . 10.0 112.856 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.5 m -81.07 146.68 30.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.652 0.263 . . . . 10.0 110.657 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.41 116.85 32.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.156 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.5 mt -94.64 146.53 24.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.359 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -100.9 117.17 34.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.536 -0.542 . . . . 10.0 109.536 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.453 HD23 HG22 ' B' ' 7' ' ' THR . 40.6 tp -101.49 101.27 11.83 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.08 0.466 . . . . 10.0 111.408 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.626 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 43.1 t -91.93 122.26 43.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.492 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.36 113.61 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.969 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -106.41 102.28 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.299 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.51 158.21 31.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.968 0.413 . . . . 10.0 111.33 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 42.9 mtp85 -99.74 32.2 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.371 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.61 137.99 2.31 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.094 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.755 ' SG ' ' SG ' ' A' ' 85' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.254 1.3 0 CA-C-O 118.115 -0.945 . . . . 99.99 109.655 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 6' ' ' VAL . . . . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.555 0.217 . . . . 10.0 111.408 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -58.34 -31.77 67.9 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.999 -179.239 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.8 ttm -55.87 -44.67 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.365 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -74.73 -37.13 62.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.246 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 2' ' ' ALA . 76.2 t -58.09 -47.14 87.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.777 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 3' ' ' SER . 48.1 t -62.79 -37.78 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.115 0.483 . . . . 10.0 110.107 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -64.65 -49.34 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.241 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.498 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 43.5 mt-10 -60.08 -35.53 75.39 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.052 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.3 tp -63.02 -50.1 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.395 178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.43 -43.14 99.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.817 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -57.09 -46.58 82.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.355 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.9 mt -84.33 -16.78 41.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -39.68 23.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.893 0.378 . . . . 10.0 110.875 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -80.57 -27.95 37.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.689 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -134.67 77.66 57.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.842 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -87.9 148.54 7.02 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.928 2.419 . . . . 10.0 113.105 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.11 158.45 30.33 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.559 2.173 . . . . 10.0 110.468 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.72 -29.43 59.78 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.727 2.284 . . . . 10.0 112.893 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -82.6 1.34 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.525 HD22 HD13 ' A' ' 104' ' ' LEU . 12.2 tp -134.56 122.96 23.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.651 0.262 . . . . 10.0 110.699 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -131.26 154.08 48.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.894 0.378 . . . . 10.0 111.888 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.7 t30 59.72 38.71 21.61 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.341 -0.845 . . . . 10.0 112.629 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.5 tp -72.11 106.72 4.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.721 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -136.17 154.36 50.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.373 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 m -78.56 174.51 11.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.708 0.29 . . . . 10.0 110.408 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.565 ' HB2' ' HB ' ' A' ' 33' ' ' VAL . 21.4 t70 -71.57 158.18 36.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.3 -39.51 83.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.976 -178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.9 -6.54 9.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.538 0.94 . . . . 10.0 113.538 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.536 ' O ' ' HB3' ' A' ' 27' ' ' ASP . 49.3 t30 -132.54 120.39 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.04 0.448 . . . . 10.0 111.978 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -75.55 -14.27 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.659 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.5 mt -83.04 5.28 22.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.36 -0.382 . . . . 10.0 111.217 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 27' ' ' ASP . 93.0 t -125.98 125.64 68.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.568 -0.53 . . . . 10.0 109.568 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.558 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . 45.6 m0 -111.67 145.83 38.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.995 0.426 . . . . 10.0 111.659 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -127.32 124.86 39.7 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.66 161.71 42.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.965 0.412 . . . . 10.0 111.66 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.96 120.98 43.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.978 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.2 tp -92.25 133.18 36.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.433 HD21 ' HD2' ' A' ' 151' ' ' PRO . 5.1 mp -121.39 93.25 48.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.325 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.04 170.2 20.19 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.717 2.278 . . . . 10.0 110.446 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.67 ' HA ' ' HB3' ' A' ' 46' ' ' HIS . 35.8 t0 -122.11 -0.43 9.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.185 0.517 . . . . 10.0 111.687 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.51 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 4.9 tp-100 -81.32 120.32 78.03 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.51 ' HD2' ' OE1' ' A' ' 42' ' ' GLN . 35.7 Cg_exo -60.2 138.77 83.54 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.439 2.093 . . . . 10.0 111.163 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 94.2 Cg_endo -100.17 18.19 22.91 Favored 'Cis proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.949 -1.271 . . . . 10.0 112.4 -0.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -62.8 -22.38 66.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.667 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.67 ' HB3' ' HA ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -81.02 4.39 19.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 -179.581 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.1 mt -81.25 -29.57 34.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.811 0.339 . . . . 10.0 110.446 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.618 ' HD2' ' HA ' ' A' ' 149' ' ' ASP . 59.6 mmtt -135.27 -164.14 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.264 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.02 158.91 38.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.628 0.252 . . . . 10.0 110.485 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -125.91 126.18 43.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.072 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -84.1 135.17 34.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.115 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 pp -120.11 152.07 38.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.352 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.4 ttt-85 -122.35 112.9 18.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.972 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.658 HG23 HG12 ' A' ' 67' ' ' ILE . 37.8 mt -97.4 124.47 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.015 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 m -114.65 115.66 27.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.783 0.325 . . . . 10.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -92.9 130.91 34.81 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.07 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 65' ' ' PRO . 90.6 Cg_endo -81.47 160.42 19.66 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.681 2.254 . . . . 10.0 111.738 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.93 -3.99 14.26 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.578 2.185 . . . . 10.0 111.145 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -101.66 14.29 32.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.801 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.523 ' CD1' ' HA ' ' A' ' 61' ' ' PRO . 17.1 t80 -69.65 143.84 93.14 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.808 -0.633 . . . . 10.0 109.859 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 91.5 Cg_endo -96.94 21.13 28.16 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.976 -1.26 . . . . 10.0 112.415 -0.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -70.88 -29.66 65.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.076 0.465 . . . . 10.0 109.914 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 5.0 mmmm -111.54 142.79 27.23 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.854 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.5 139.95 38.79 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.779 2.319 . . . . 10.0 112.895 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 66.3 Cg_endo -76.62 143.25 23.94 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.559 2.173 . . . . 10.0 110.972 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 38.8 mtm -96.31 122.27 39.0 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.98 0.419 . . . . 10.0 111.204 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.658 HG12 HG23 ' A' ' 54' ' ' ILE . 46.2 mt -112.45 131.14 64.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.975 -0.557 . . . . 10.0 109.876 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -130.7 156.82 44.29 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -92.27 127.14 37.64 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 110.029 -0.36 . . . . 10.0 110.029 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -23.7 31.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.0 m -98.38 143.66 28.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.069 -0.969 . . . . 10.0 109.943 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 142' ' ' PHE . 22.9 mmtt -78.26 115.84 18.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.976 0.417 . . . . 10.0 110.856 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.553 HG12 ' HB2' ' A' ' 75' ' ' HIS . 7.1 tt -119.03 127.8 75.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.517 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -79.6 69.28 5.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.467 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.553 ' HB2' HG12 ' A' ' 73' ' ' ILE . 7.0 t-80 -116.45 131.18 23.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.789 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.561 ' HD3' ' HZ ' ' A' ' 135' ' ' PHE . 34.0 Cg_endo -64.84 -4.38 8.59 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.113 2.542 . . . . 10.0 113.789 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -118.07 14.67 14.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.501 0.667 . . . . 10.0 110.364 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 84' ' ' ILE . 88.2 t -130.73 138.22 54.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.588 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.89 157.41 26.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.383 -0.371 . . . . 10.0 110.525 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' A' ' 80' ' ' GLU . 3.4 pt-20 -58.8 -29.89 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.118 0.784 . . . . 10.0 113.118 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -78.47 -27.57 46.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.302 0.573 . . . . 10.0 110.2 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.4 13.11 6.45 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.719 -0.753 . . . . 10.0 112.619 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -84.58 142.98 29.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 10.0 110.376 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.527 HD12 HD13 ' A' ' 86' ' ' LEU . 14.7 pt -128.71 164.7 30.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.406 ' HB2' HD11 ' A' ' 120' ' ' LEU . 1.2 m -130.5 88.2 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.44 0.638 . . . . 99.99 111.088 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 110' ' ' LEU . 8.4 mp -95.29 124.52 53.32 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.46 -0.791 . . . . 10.0 110.379 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 40.1 Cg_exo -59.07 -28.64 88.39 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.973 2.449 . . . . 10.0 112.18 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.5 tt -67.03 -30.31 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-N 116.149 -0.478 . . . . 10.0 112.208 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.2 pt -117.64 27.23 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.129 0.49 . . . . 10.0 110.512 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 92' ' ' GLU . 80.9 p -74.94 157.46 34.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.791 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -80.08 32.79 0.27 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.28 0.562 . . . . 10.0 110.311 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 90' ' ' SER . 9.8 tm-20 -140.64 -56.73 0.52 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.611 -179.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.73 35.95 2.19 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -75.86 134.35 40.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 10.0 110.7 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.502 ' HB2' ' OG1' ' A' ' 98' ' ' THR . 17.6 mtpp -121.25 110.25 34.5 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.367 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.15 -11.82 29.48 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.088 2.525 . . . . 10.0 112.413 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -80.89 -14.18 58.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.244 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -88.45 151.85 22.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.481 -179.823 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.498 ' HE3' ' HG2' ' A' ' 9' ' ' GLU . 60.8 mtpt -111.36 170.67 7.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.235 -0.439 . . . . 10.0 109.987 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.0 m -60.13 -27.84 67.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.215 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -49.06 75.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.798 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.434 ' HB2' HG22 ' A' ' 98' ' ' THR . 7.3 mp0 -70.7 -30.62 67.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.027 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.99 -47.79 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.854 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.525 HD13 HD22 ' A' ' 21' ' ' LEU . 73.8 mt -63.73 -33.64 76.09 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.178 0.513 . . . . 10.0 109.974 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 109' ' ' VAL . 19.1 tt0 -63.82 -49.24 73.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.47 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.77 97.41 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.37 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 tp -58.7 -47.41 84.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.983 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -58.81 -41.92 87.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.833 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 105' ' ' GLU . 95.0 t -63.44 -48.2 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.697 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 86' ' ' LEU . 62.1 mt -64.45 -29.15 70.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.734 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.444 ' HA ' ' CE1' ' A' ' 75' ' ' HIS . 54.9 t -75.14 -43.94 43.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 110.243 -0.28 . . . . 10.0 110.243 178.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.452 ' O ' ' HD3' ' A' ' 114' ' ' PRO . 37.7 m-80 -72.08 -37.78 69.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.099 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -108.57 96.75 20.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 112' ' ' ASN . 20.1 Cg_exo -66.32 108.93 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.873 2.382 . . . . 10.0 112.753 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -73.41 109.71 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.411 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 24.3 pt -89.18 -6.95 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.465 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 117' ' ' ARG . 43.9 mtp180 -75.81 -57.03 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -120.52 78.63 28.74 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.431 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -97.46 169.14 0.82 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 122.851 2.367 . . . . 10.0 112.702 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 85' ' ' CYS . 9.2 mp -100.11 -14.11 18.71 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.558 ' HD3' HD22 ' A' ' 124' ' ' LEU . 7.1 mtp85 -129.29 95.19 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.283 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -61.33 -32.89 72.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -66.17 -48.3 71.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.507 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.558 HD22 ' HD3' ' A' ' 121' ' ' ARG . 8.1 mp -68.52 -37.53 80.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.189 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.96 79.83 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.281 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -65.79 -38.08 88.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.375 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.596 HD11 HD23 ' A' ' 134' ' ' LEU . 46.7 tp -59.91 -47.47 85.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.23 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 132' ' ' PRO . 58.4 tp -62.15 -38.14 87.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.009 0.433 . . . . 10.0 111.039 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.7 m -72.07 -19.08 61.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.444 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -94.9 -50.53 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.693 0.282 . . . . 10.0 111.165 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -144.83 102.79 4.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.125 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.468 ' HA ' HD12 ' A' ' 128' ' ' LEU . 26.9 Cg_exo -63.18 -36.65 56.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.977 2.451 . . . . 10.0 112.403 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.644 ' HG3' ' HE2' ' A' ' 137' ' ' LYS . 31.9 tp10 -68.87 -43.82 74.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.046 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.596 HD23 HD11 ' A' ' 127' ' ' LEU . 33.0 tp -60.02 -43.82 95.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.993 0.425 . . . . 10.0 110.32 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.561 ' HZ ' ' HD3' ' A' ' 76' ' ' PRO . 87.0 t80 -66.06 -41.66 90.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.812 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -60.18 -40.7 90.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.525 -0.762 . . . . 10.0 110.958 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.644 ' HE2' ' HG3' ' A' ' 133' ' ' GLU . 66.3 mttm -60.84 -47.52 85.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.129 0.49 . . . . 10.0 110.402 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -62.59 -45.64 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.356 -0.838 . . . . 10.0 110.796 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.326 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -59.57 -48.76 80.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.069 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -60.18 -44.13 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.706 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.439 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 4.3 t80 -65.52 -45.05 85.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.27 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.412 HG22 ' HB2' ' A' ' 48' ' ' LYS . 26.2 m -64.04 -38.16 90.05 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.172 0.434 . . . . 10.0 112.172 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 92.7 mt -80.8 -5.32 57.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.708 0.633 . . . . 10.0 112.708 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -114.64 -42.9 3.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.811 0.671 . . . . 10.0 112.811 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.427 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 96.6 m-85 -107.71 6.35 27.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -100.59 151.89 19.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 10.0 112.776 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 20.1 t -76.52 152.39 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.073 -0.714 . . . . 10.0 109.073 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.618 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 28.3 t0 -56.83 156.03 7.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.834 0.35 . . . . 10.0 111.849 -179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.457 ' HB2' ' HA ' ' A' ' 48' ' ' LYS . 13.3 tpt180 -91.41 109.02 33.17 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.912 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 149' ' ' ASP . 85.0 Cg_endo . . . . . 0 C--O 1.252 1.219 0 C-N-CA 123.157 2.571 . . . . 10.0 111.623 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 24.0 ptt? . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 121.116 0.484 . . . . 10.0 110.734 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -85.79 129.04 34.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.728 -0.669 . . . . 10.0 111.551 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -125.51 169.48 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.37 123.05 42.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.883 0.373 . . . . 10.0 110.976 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.77 107.97 24.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -101.64 129.15 47.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.08 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -97.92 170.1 9.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.348 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.777 HD11 HG13 ' B' ' 70' ' ' VAL . 90.9 mt -66.62 -17.31 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.531 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.78 4.08 50.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.14 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.53 11.31 85.42 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.915 -0.66 . . . . 10.0 112.556 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -86.04 82.9 7.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 10.0 110.05 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -79.24 113.96 17.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.159 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 pt -111.33 151.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.977 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.5 142.76 27.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.189 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 tp -138.54 140.32 39.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.781 0.324 . . . . 10.0 110.641 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.1 105.82 16.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.957 -0.565 . . . . 10.0 109.692 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.3 m -131.49 167.85 25.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.743 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 57.5 mm-40 -112.85 158.61 37.2 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -58.8 -23.31 66.26 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.196 1.931 . . . . 10.0 111.718 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.22 8.7 31.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.998 -0.547 . . . . 10.0 111.348 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.607 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -80.61 131.58 35.52 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.738 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.51 149.68 25.76 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -55.66 -40.91 62.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.678 0.275 . . . . 10.0 111.336 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -61.1 -36.03 78.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.1 0.476 . . . . 10.0 110.626 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -71.7 -39.31 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.68 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.45 -40.39 86.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.683 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -59.42 -42.13 91.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.818 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.91 85.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.285 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -66.4 -38.1 86.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.688 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.0 mt -69.15 -37.65 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.265 -0.642 . . . . 10.0 109.265 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -66.79 -37.15 84.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.756 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.67 -35.95 81.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.305 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.42 ' HB3' ' HE2' ' B' ' 33' ' ' LYS . 31.9 mtpt -86.54 -63.6 1.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.742 0.645 . . . . 10.0 112.742 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.33 -47.32 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.815 0.672 . . . . 10.0 112.815 -177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.15 13.32 19.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.548 -0.834 . . . . 10.0 112.421 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.8 mt -77.32 125.47 86.33 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.294 -0.262 . . . . 10.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 66.4 Cg_exo -53.27 134.32 56.32 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.92 2.414 . . . . 10.0 111.668 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.9 Cg_exo -55.71 -30.42 75.61 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.434 2.756 . . . . 10.0 113.613 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.39 -25.71 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.829 0.307 . . . . 10.0 111.829 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -93.11 4.05 54.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.604 -0.271 . . . . 10.0 111.317 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -91.05 104.06 16.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.14 0.495 . . . . 10.0 111.648 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.485 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 47.1 ttt180 -105.48 90.32 3.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.419 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.57 ' HB3' HD12 ' B' ' 50' ' ' LEU . 36.8 mt -84.73 120.54 26.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.983 -0.553 . . . . 10.0 112.09 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.7 mm -119.31 130.47 73.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.208 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.488 ' HB3' HD21 ' B' ' 50' ' ' LEU . 84.2 t80 -139.8 127.05 21.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.673 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.47 33.64 23.55 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.63 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.2 7.4 84.63 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.818 -0.628 . . . . 10.0 113.118 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mtmm -118.05 142.56 47.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -85.41 132.78 34.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.051 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' B' ' 43' ' ' LEU . 37.3 mt -80.75 109.71 15.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.431 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.27 135.92 40.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.753 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.08 -44.33 41.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.093 0.775 . . . . 10.0 113.093 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.39 35.73 3.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 10.0 114.064 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' B' ' 54' ' ' ARG . 5.3 mmp_? -129.08 160.81 31.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.827 0.314 . . . . 10.0 110.416 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.45 159.84 15.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.204 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 78.6 mt -60.6 -29.53 69.26 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.095 0.474 . . . . 10.0 111.089 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -28.69 69.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.412 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.57 -38.09 89.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.446 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.405 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.9 m-85 -96.89 6.78 48.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.249 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 60.37 35.63 20.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.245 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 73.1 mt -75.24 116.58 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.262 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -105.4 -165.6 1.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.353 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.426 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 0.0 OUTLIER -76.56 153.78 35.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.728 0.299 . . . . 10.0 110.917 179.294 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.16 16.3 10.39 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.802 0.667 . . . . 10.0 112.802 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.6 m -76.53 142.2 40.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.375 -0.231 . . . . 10.0 110.375 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.23 104.62 16.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.188 0.518 . . . . 10.0 111.252 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 78.4 mt -87.27 139.81 30.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.905 -0.588 . . . . 10.0 109.643 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -100.76 108.54 20.39 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 44.4 tp -93.57 100.85 13.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.392 0.615 . . . . 10.0 111.264 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.777 HG13 HD11 ' B' ' 8' ' ' LEU . 41.5 t -91.58 134.38 30.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.54 -0.911 . . . . 10.0 108.54 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.6 mp -99.64 132.74 44.78 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 121.003 -0.279 . . . . 10.0 110.66 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -111.31 132.86 54.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.002 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.437 ' HA ' HD12 ' B' ' 73' ' ' LEU . 7.1 tp -81.82 128.13 33.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.983 0.421 . . . . 10.0 109.927 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -109.78 84.69 1.97 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.225 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 145.2 60.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.471 -0.871 . . . . 10.0 112.975 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . 0.407 ' SG ' HD23 ' B' ' 73' ' ' LEU . 77.5 m . . . . . 0 C--O 1.252 1.215 0 CA-C-O 118.864 -0.589 . . . . 99.99 110.423 179.892 . . . . . . . . 1 1 . 1 stop_ save_